(3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid

C10H16N2O3 — CID 28511977

IUPAC(3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid
SMILESC=CCNC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-2-5-11-10(15)12-6-3-4-8(7-12)9(13)14/h2,8H,1,3-7H2,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyRJOFMWXAJWHLHQ-QMMMGPOBSA-N
MW212.25 g/mol
LogP0.68
Rot. Bonds3

About (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid

(3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 28511977) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID28511977
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid
SMILESC=CCNC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-2-5-11-10(15)12-6-3-4-8(7-12)9(13)14/h2,8H,1,3-7H2,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyRJOFMWXAJWHLHQ-QMMMGPOBSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-1-(prop-2-enylcarbamoyl)piperidine-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

Related Compounds

1-((Propan-2-yl)carbamoyl)piperidine-3-carboxylic acid
CID 42952304
1-(Cyclopentylcarbamoyl)piperidine-3-carboxylic acid
CID 43135693
(3S)-1-(4,4,4-trifluorobutylcarbamoyl)piperidine-3-carboxylic acid
CID 113327903
(3R)-1-(4,4,4-trifluorobutylcarbamoyl)piperidine-3-carboxylic acid
CID 113327920
1-(4,4,4-Trifluorobutylcarbamoyl)piperidine-3-carboxylic acid
CID 113327936
(3S)-1-(5,5,5-trifluoropentylcarbamoyl)piperidine-3-carboxylic acid
CID 115521395
(3R)-1-(5,5,5-trifluoropentylcarbamoyl)piperidine-3-carboxylic acid
CID 115521437
1-(5,5,5-Trifluoropentylcarbamoyl)piperidine-3-carboxylic acid
CID 115521487
1-(4-Fluorobutylcarbamoyl)piperidine-3-carboxylic acid
CID 121654334
1-(3-Fluorobutylcarbamoyl)piperidine-3-carboxylic acid
CID 122015473
1-(4-Fluorobutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122123916
1-(3-Fluorobutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122123965

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid (CID 28511977) is (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid is C=CCNC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is RJOFMWXAJWHLHQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-5-11-10(15)12-6-3-4-8(7-12)9(13)14/h2,8H,1,3-7H2,(H,11,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid?
(3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 28511977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).