AG003A2U

140187-23-1 | (αS)-α-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoic acid

AG003A2U

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CAS Number	140187-23-1
Catalog Number	AG003A2U(AGN-PC-0PPD6G)
Chemical Name	(αS)-α-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoic acid
IUPAC Name	(2S)-2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
InChI	InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChI Key	DBWPFHJYSTVBCZ-BYPYZUCNSA-N
MDL Number	MFCD00153880
Molecular Formula	C7H8FN3O4
Molecular Weight	217.1545
SMILES	N[C@H](C(=O)O)CN1C(NC(C(=C1)F)=O)=O
Synonyms	5-fluorowillardiine, 5-Fluorowillardiine, (S)-(-)-5-fluorowillardiine, 140187-23-1, FLUORO-WILLARDIINE, (S)-F-Willardiine, (S)-5-FLUOROWILLARDIINE, 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, CHEMBL123132, CHEBI:42549, 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine, (S)-alpha-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimmidinepropanoic acid, 3-(5-fluorouracil-1-yl)-L-alanine, (2S)-2-amino-3-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid, (S)-(-)-5-fluorowillardine, (2S)-2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid, (S)-2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid, FWD, C7H8FN3O4, 1mqi, Tocris-0306, AC1L2QKF, S-(-)-5-Fluorowillardiine, GTPL4070, SCHEMBL5000789, DTXSID1042609, SCHEMBL13319911, CTK7I3525, ZINC2530708, 2950AH, BDBM50060635, BN0034, PDSP1_001836, PDSP2_001819, AKOS024457406, CS-3638, DB02966, NCGC00024528-01, HY-16713, B6251, F-205, C13671, (5S)-Fluorowillardiine;(S)-5-Fluorowillardiine, SR-01000597628, J-007366, SR-01000597628-1, 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)alanine, (2S)-2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid., (S)-(-)-?-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)pyridinepropanoic acid, (S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid, 1(2H)-Pyrimmidinepropanoic acid, alpha-amino-5-fluoro-3,4-dihydro-2,4-dioxo-, (S)-, fluorowillardiine, D09LXQ, - -5-FLUOROWILLARDIINE, C7-H8-F-N3-O4, CID126569, C095178,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	217.05g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	217.156g/mol
Monoisotopic Mass	217.05g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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