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

C8H11NO2 — CID 131000831

IUPAC(2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid
SMILESCC#C[C@]1(C(=O)O)CCCN1
InChIInChI=1S/C8H11NO2/c1-2-4-8(7(10)11)5-3-6-9-8/h9H,3,5-6H2,1H3,(H,10,11)/t8-/m1/s1
InChIKeyLBXWHVGFCUFRNN-MRVPVSSYSA-N
MW153.18 g/mol
LogP0.22
Rot. Bonds1

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

(2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid (PubChem CID 131000831) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid
PubChem CID131000831
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid
SMILESCC#C[C@]1(C(=O)O)CCCN1
InChIInChI=1S/C8H11NO2/c1-2-4-8(7(10)11)5-3-6-9-8/h9H,3,5-6H2,1H3,(H,10,11)/t8-/m1/s1
InChIKeyLBXWHVGFCUFRNN-MRVPVSSYSA-N
XLogP0.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-prop-1-ynylpyrrolidine-2-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-cyano-N-methylpyrrolidine-2-carboxamide
CID 45115870
2-fluoropyrrolidine-2-carboxylic acid
CID 68687263
(2S)-2-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 70246259
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
CID 83080746
(2S)-2-formylpyrrolidine-2-carboxylic acid
CID 175746103
2-formylpyrrolidine-2-carboxylic acid
CID 139777637
(2R)-2-methylpyrrolidin-2-ol
CID 146841570
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid
CID 67820831
2-(2-methylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 83080312
2-prop-2-ynylpyrrolidine-2-carboxylic acid;hydrochloride
CID 53398204
2-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70318917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid (CID 131000831) is (2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid is CC#C[C@]1(C(=O)O)CCCN1.
What is the InChIKey of (2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid?
The InChIKey is LBXWHVGFCUFRNN-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-4-8(7(10)11)5-3-6-9-8/h9H,3,5-6H2,1H3,(H,10,11)/t8-/m1/s1.
What are the key properties of (2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid?
(2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 131000831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).