4-(hydroxymethyl)pyrrolidine-3-carboxylic acid

C6H11NO3 — CID 4059864

IUPAC4-(hydroxymethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1CO
InChIInChI=1S/C6H11NO3/c8-3-4-1-7-2-5(4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)
InChIKeyVVGDGTNZNREEHN-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.10
Rot. Bonds2

About 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid

4-(hydroxymethyl)pyrrolidine-3-carboxylic acid (PubChem CID 4059864) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)pyrrolidine-3-carboxylic acid
PubChem CID4059864
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-(hydroxymethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1CO
InChIInChI=1S/C6H11NO3/c8-3-4-1-7-2-5(4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)
InChIKeyVVGDGTNZNREEHN-UHFFFAOYSA-N
XLogP-1.10
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)pyrrolidine-3-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

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid (CID 4059864) is 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNCC1CO.
What is the InChIKey of 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VVGDGTNZNREEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-3-4-1-7-2-5(4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10).
What are the key properties of 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid?
4-(hydroxymethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 4059864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).