AG00HA1O

103336-06-7 | 1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester,(2S)-

AG00HA1O

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CAS Number	103336-06-7
Catalog Number	AG00HA1O(AGN-PC-0OSBG6)
Chemical Name	1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester,(2S)-
EC Number	813-635-0
IUPAC Name	(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)/t11-/m0/s1
InChI Key	YQXRKJHVAUKXRN-NSHDSACASA-N
MDL Number	MFCD08706361
Molecular Formula	C11H19NO4
Molecular Weight	229.2729
SMILES	O=C([C@@]1(C)N(C(OC(C)(C)C)=O)CCC1)O
Synonyms	103336-06-7, (S)-1-(tert-butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid, N-BOC-ALPHA-METHYL-L-PROLINE, (2S)-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid, 1-Boc-2-methyl-L-proline, 1-(TERT-BUTOXYCARBONYL)-2-METHYL-L-PROLINE, MFCD08706361, N-Boc-|A-methyl-L-proline, SCHEMBL387543, (S)-1-Boc-2-Methyl-proline, DTXSID70458751, YQXRKJHVAUKXRN-NSHDSACASA-N, ZINC391234, n-boc-2-(s)-methyl-(l)-proline, BCP24693, N-tert-butoxycarbonyl-2-methylproline, AKOS015999983, CB-2574, PB32674, QC-4614, KS-000007M8, 1-(tert-butoxycarbonyl)-2-methylproline, AJ-21073, AK-90256, DS-16822, AB0083258, (S)-N-(tert-butoxycarbonyl)-2-methylproline, C3409, CS-0042495, Q-1484, (S)-1-(tert-butoxycarbonyl)-2-methyl-L-proline, I14-32921, I14-38675, Z2756841886, (5)-1-(tert-butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid, (S)-2-methyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester, (S)-2-Methylpyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester, (S);-1-(tert-Butoxycarbonyl);-2-methylpyrrolidine-2-carboxylic acid, 1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester,(2S)-, N-BOC-2-METHYL-L-PROLINE, CID11206950, (2R)-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid, 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid, (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, 166170-15-6,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	229.131g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.276g/mol
Monoisotopic Mass	229.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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