4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid

C9H16NO5P — CID 54232403

IUPAC4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(C=CCP(=O)(O)O)CCN1
InChIInChI=1S/C9H16NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h1-2,7-8,10H,3-6H2,(H,11,12)(H2,13,14,15)
InChIKeyQKEPBMYNLCWSMA-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.17
Rot. Bonds4

About 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid

4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid (PubChem CID 54232403) has the molecular formula C9H16NO5P and a molecular weight of 249.20 g/mol. Its IUPAC name is 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid
PubChem CID54232403
Molecular FormulaC9H16NO5P
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Name4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(C=CCP(=O)(O)O)CCN1
InChIInChI=1S/C9H16NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h1-2,7-8,10H,3-6H2,(H,11,12)(H2,13,14,15)
InChIKeyQKEPBMYNLCWSMA-UHFFFAOYSA-N
XLogP0.17
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-(2-phosphonoethyl)piperidine-2-carboxylic acid
CID 44284617
(2S,4R)-4-[(E)-3-phosphonoprop-1-enyl]piperidine-2-carboxylic acid
CID 44284897
(2R,4R)-4-[(E)-3-phosphonoprop-1-enyl]piperidine-2-carboxylic acid
CID 14541461
(2R,4S)-4-[(E)-3-phosphonoprop-1-enyl]piperidine-2-carboxylic acid
CID 14541462
(2R,4R)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541468
(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541469
(2S,4R)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 44284898
(2S,4R)-4-(2-phosphonoethyl)piperidine-2-carboxylic acid
CID 44380151
(2S)-3-(1,4-difluorocyclohexa-2,4-dien-1-yl)-2-(phosphonomethylamino)propanoic acid
CID 69877700
3-Vinylpipecolic acid
CID 129710212
4-[(E)-3-phosphonoprop-1-enyl]piperidine-2-carboxylic acid
CID 14541460
4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541467

Frequently Asked Questions

What is the IUPAC name of 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid (CID 54232403) is 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid is O=C(O)C1CC(C=CCP(=O)(O)O)CCN1.
What is the InChIKey of 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid?
The InChIKey is QKEPBMYNLCWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h1-2,7-8,10H,3-6H2,(H,11,12)(H2,13,14,15).
What are the key properties of 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid?
4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid has a molecular weight of 249.20 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 54232403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).