(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid

C6H11NO3 — CID 54006314

IUPAC(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
SMILESCC1(O)CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H11NO3/c1-6(10)2-4(5(8)9)7-3-6/h4,7,10H,2-3H2,1H3,(H,8,9)/t4-,6?/m0/s1
InChIKeyKPCWMMDGZFFCTA-VKZKZBKNSA-N
MW145.16 g/mol
LogP-0.82
Rot. Bonds1

About (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid (PubChem CID 54006314) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
PubChem CID54006314
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
SMILESCC1(O)CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H11NO3/c1-6(10)2-4(5(8)9)7-3-6/h4,7,10H,2-3H2,1H3,(H,8,9)/t4-,6?/m0/s1
InChIKeyKPCWMMDGZFFCTA-VKZKZBKNSA-N
XLogP-0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
CID 154707113
(2S,4S)-4-methylpyrrolidine-2,4-dicarboxylic acid
CID 131853528
(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 170166786
(2S)-4,4-dibromopyrrolidine-2-carboxylic acid
CID 118556708
2,6-diazaspiro[3.4]octane-7-carboxylic acid
CID 165458055
(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
CID 162760358
(3S,6S)-2-tert-butyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 59493682
(3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 59493460
5-amino-4,4-dimethylpiperidine-2-carboxylic acid
CID 58725270
3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
(2S)-4,4-di(hexadecanoyl)pyrrolidine-2-carboxylic acid
CID 174845565
[(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate
CID 118180473

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid (CID 54006314) is (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid is CC1(O)CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid?
The InChIKey is KPCWMMDGZFFCTA-VKZKZBKNSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(10)2-4(5(8)9)7-3-6/h4,7,10H,2-3H2,1H3,(H,8,9)/t4-,6?/m0/s1.
What are the key properties of (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54006314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).