(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid

C8H13NO2 — CID 175456128

IUPAC(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
SMILESC=CC[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-4-7-5-3-6-9(7)8(10)11/h2,7H,1,3-6H2,(H,10,11)/t7-/m1/s1
InChIKeyOJVXQZXUFCBHGT-SSDOTTSWSA-N
MW155.20 g/mol
LogP1.70
Rot. Bonds2

About (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid

(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid (PubChem CID 175456128) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
PubChem CID175456128
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
SMILESC=CC[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-4-7-5-3-6-9(7)8(10)11/h2,7H,1,3-6H2,(H,10,11)/t7-/m1/s1
InChIKeyOJVXQZXUFCBHGT-SSDOTTSWSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-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

Related Compounds

2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 87391824
methyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 11062814
1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
CID 93476405
1-(2-prop-2-enylpiperidin-1-yl)ethanone
CID 11116438
4-oxo-4-[(2S)-2-prop-2-enylpiperidin-1-yl]butanoic acid
CID 102402490
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
1-(2-prop-2-enylazepan-1-yl)propan-1-one
CID 56945571
amino (2R)-2-prop-2-enylazepane-1-carboxylate
CID 142113387
ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one
CID 168982127
2-(cyanomethyl)pyrrolidine-1-carboxylic acid
CID 22500499
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-ethyl-2-prop-2-enylpyrrolidine
CID 11829524

Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid (CID 175456128) is (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid is C=CC[C@@H]1CCCN1C(=O)O.
What is the InChIKey of (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid?
The InChIKey is OJVXQZXUFCBHGT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-4-7-5-3-6-9(7)8(10)11/h2,7H,1,3-6H2,(H,10,11)/t7-/m1/s1.
What are the key properties of (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid?
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175456128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).