4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid

C7H13NO4 — CID 166720603

IUPAC4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid
SMILESCC1(CO)CC(O)CN1C(=O)O
InChIInChI=1S/C7H13NO4/c1-7(4-9)2-5(10)3-8(7)6(11)12/h5,9-10H,2-4H2,1H3,(H,11,12)
InChIKeyXOINQNWZRXRCCT-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.52
Rot. Bonds1

About 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid

4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid (PubChem CID 166720603) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid
PubChem CID166720603
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid
SMILESCC1(CO)CC(O)CN1C(=O)O
InChIInChI=1S/C7H13NO4/c1-7(4-9)2-5(10)3-8(7)6(11)12/h5,9-10H,2-4H2,1H3,(H,11,12)
InChIKeyXOINQNWZRXRCCT-UHFFFAOYSA-N
XLogP-0.52
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
CID 125424082
tert-butyl 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
CID 126838253
(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 69059096
(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
CID 171774635
(2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 67269776
2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 126822796
(2S,4S)-2-tert-butyl-2-(dimethylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 67430111
tert-butyl (2S,4R)-2-(hydroxymethyl)-2,4-dimethylpyrrolidine-1-carboxylate
CID 175637282
(4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid
CID 139389191
(2S,4R)-2-benzyl-4-hydroxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 67034148
(2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid
CID 154133017
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxy-2-methylpyrrolidine-1-carboxylate
CID 125448936

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid (CID 166720603) is 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid is CC1(CO)CC(O)CN1C(=O)O.
What is the InChIKey of 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid?
The InChIKey is XOINQNWZRXRCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-7(4-9)2-5(10)3-8(7)6(11)12/h5,9-10H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid?
4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 166720603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).