3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid

C8H13NO3 — CID 67969119

IUPAC3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid
SMILESC=CCC1CN(C(=O)O)CC1O
InChIInChI=1S/C8H13NO3/c1-2-3-6-4-9(8(11)12)5-7(6)10/h2,6-7,10H,1,3-5H2,(H,11,12)
InChIKeyIJWIYSSYYZHTCD-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.53
Rot. Bonds2

About 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid

3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid (PubChem CID 67969119) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid
PubChem CID67969119
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid
SMILESC=CCC1CN(C(=O)O)CC1O
InChIInChI=1S/C8H13NO3/c1-2-3-6-4-9(8(11)12)5-7(6)10/h2,6-7,10H,1,3-5H2,(H,11,12)
InChIKeyIJWIYSSYYZHTCD-UHFFFAOYSA-N
XLogP0.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-hydroxy-4-prop-2-enylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid (CID 67969119) is 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid is C=CCC1CN(C(=O)O)CC1O.
What is the InChIKey of 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid?
The InChIKey is IJWIYSSYYZHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-6-4-9(8(11)12)5-7(6)10/h2,6-7,10H,1,3-5H2,(H,11,12).
What are the key properties of 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid?
3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67969119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).