AG001ZF9

174060-98-1 | (S)-1-(tert-Butoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid

AG001ZF9

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CAS Number	174060-98-1
Catalog Number	AG001ZF9(AGN-PC-0QAGZP)
Chemical Name	(S)-1-(tert-Butoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid
IUPAC Name	(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-6-12(4,5)8(13)9(14)15/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m1/s1
InChI Key	FVTWJYOGVFLUNJ-MRVPVSSYSA-N
MDL Number	MFCD04039446
Molecular Formula	C12H21NO4
Molecular Weight	243.2994
SMILES	O=C([C@H]1N(C(OC(C)(C)C)=O)CCC1(C)C)O
Synonyms	174060-98-1, Boc-(2S)-3,3-dimethyl-2-pyrrolidenecarboxylic Acid, (S)-N-BoC-3,3-dimethylpyrrolidine-2-carboxylic acid, SCHEMBL905275, Boc-3,3-dmP-OH (S), CTK8F0573, ZINC6050238, MFCD04039446, AKOS022180255, FCH3676535, SB13401, ACM174060981, AJ-55588, RT-011583, 060B981, (s)-n-boc-3,3-dimethylpyrrolidine-2-carboxylicacid, J-010963, (S)-1-(tert-Butoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid, Boc-3,3-dimethyl-proline, CS-T-07539, CID10586313, 1-(tert-butoxycarbonyl)-3,3-dimethyl-D,L-proline, 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	243.147g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.303g/mol
Monoisotopic Mass	243.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

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