1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid

C9H16NO5P — CID 100935172

IUPAC1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C/C=C/P(=O)(O)O)C1
InChIInChI=1S/C9H16NO5P/c11-9(12)8-3-1-4-10(7-8)5-2-6-16(13,14)15/h2,6,8H,1,3-5,7H2,(H,11,12)(H2,13,14,15)/b6-2+
InChIKeyVFMWRANTVQCVAJ-QHHAFSJGSA-N
MW249.20 g/mol
LogP0.47
Rot. Bonds4

About 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid

1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid (PubChem CID 100935172) has the molecular formula C9H16NO5P and a molecular weight of 249.20 g/mol. Its IUPAC name is 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid
PubChem CID100935172
Molecular FormulaC9H16NO5P
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Name1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C/C=C/P(=O)(O)O)C1
InChIInChI=1S/C9H16NO5P/c11-9(12)8-3-1-4-10(7-8)5-2-6-16(13,14)15/h2,6,8H,1,3-5,7H2,(H,11,12)(H2,13,14,15)/b6-2+
InChIKeyVFMWRANTVQCVAJ-QHHAFSJGSA-N
XLogP0.47
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylic acid
CID 28869402
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
1-[(E)-5-methylhex-2-enyl]pyrrolidine-3-carboxylic acid
CID 22322909
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385889
1-(2-cyanoethyl)piperidine-3-carboxylic acid
CID 52983711
1-[(1-hydroxycyclohexyl)methyl]piperidine-3-carboxylic acid
CID 65213320
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid (CID 100935172) is 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C/C=C/P(=O)(O)O)C1.
What is the InChIKey of 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid?
The InChIKey is VFMWRANTVQCVAJ-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H16NO5P/c11-9(12)8-3-1-4-10(7-8)5-2-6-16(13,14)15/h2,6,8H,1,3-5,7H2,(H,11,12)(H2,13,14,15)/b6-2+.
What are the key properties of 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid?
1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid has a molecular weight of 249.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phosphonoprop-2-enyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 100935172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).