AG00DBPK

473806-21-2 | (2S,4R)-4-Boc-amino pyrrolidine-2-carboxylic acid methyl ester-HCl

AG00DBPK

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CAS Number	473806-21-2
Catalog Number	AG00DBPK(AGN-PC-0RV5M0)
Chemical Name	(2S,4R)-4-Boc-amino pyrrolidine-2-carboxylic acid methyl ester-HCl
IUPAC Name	methyl (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate
InChI	InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-7-5-8(12-6-7)9(14)16-4/h7-8,12H,5-6H2,1-4H3,(H,13,15)/t7-,8+/m1/s1
InChI Key	QOJVDTYOYUAFQA-SFYZADRCSA-N
MDL Number	MFCD08704530
Molecular Formula	C11H20N2O4
Molecular Weight	244.2875
SMILES	COC(=O)[C@@H]1C[C@H](CN1)NC(=O)OC(C)(C)C
Synonyms	473806-21-2, (2S,4R)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE-2-CARBOXYLATE, (2S,4R)-Methyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylate, (2S,4R)-4-BOC-amino pyrrolidine-2-carboxylic acid methyl ester, L-Proline,4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (4R)-, rel-(2S,4R)-Methyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylate, (2S,4R)-4-BOC-AMINO PYRROLIDINE-2-CARBOXYLIC ACID METHYL ESTER-HCL, PubChem15070, SCHEMBL8543613, CTK4I9926, KS-00003SRE, DTXSID30628711, 6454AB, ANW-72443, ZINC12506596, AKOS015950908, FCH3768665, AJ-62609, TS-00741, AB1006693, AX8163863, AX8302681, AX8335308, TC-161188, CS-0055110, FT-0773673, EN300-88033, B-1634, Methyl (4R)-4-[(tert-butoxycarbonyl)amino]-L-prolinate, methyl (2S,4R)-4-[(tert-butoxycarbonyl)amino]pyrrolidine-2-carboxylate, methyl (2S,4R)-4-{[(tert-butoxy)carbonyl]amino}pyrrolidine-2-carboxylate, null, QOJVDTYOYUAFQA-SFYZADRCSA-N, C11H20N2O4, ACN-031314, CB11186, 1253792-86-7, (2R,4S)-methyl 4-(tert-butoxycarbonyl)pyrrolidine-2-carboxylate, (2S,4R)-methyl 4-(tert-butoxycarbonyl)pyrrolidine-2-carboxylate, (2S,4R)-Methyl4-(tert-butoxycarbonylamino)pyrrolidine-2-carboxylate, L-Proline,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester,(4R)-,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	244.142g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.291g/mol
Monoisotopic Mass	244.142g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	76.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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