(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid

C9H16NO5P — CID 14541469

IUPAC(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](C/C=C/P(=O)(O)O)CCN1
InChIInChI=1S/C9H16NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h1,5,7-8,10H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+/t7-,8+/m0/s1
InChIKeyKWMQTYXPEOXMJB-QJBKVAQWSA-N
MW249.20 g/mol
LogP0.52
Rot. Bonds4

About (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid

(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid (PubChem CID 14541469) has the molecular formula C9H16NO5P and a molecular weight of 249.20 g/mol. Its IUPAC name is (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
PubChem CID14541469
Molecular FormulaC9H16NO5P
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Name(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](C/C=C/P(=O)(O)O)CCN1
InChIInChI=1S/C9H16NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h1,5,7-8,10H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+/t7-,8+/m0/s1
InChIKeyKWMQTYXPEOXMJB-QJBKVAQWSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enylpiperidine-2-carboxylic acid
CID 70583739
(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
CID 21126371
(2S,4R)-4-(sulfanylmethyl)piperidine-2-carboxylic acid
CID 137455013
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
CID 139957952
4-(3-methylbutyl)piperidine-2-carboxylic acid
CID 82397672
5-(cyclopropylmethyl)azepane-2-carboxylic acid
CID 18446400
[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
CID 14850749
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
fluorophosphonic acid;pyrrolidine-2-carboxylic acid
CID 157183973
4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid
CID 14850726

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid (CID 14541469) is (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](C/C=C/P(=O)(O)O)CCN1.
What is the InChIKey of (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid?
The InChIKey is KWMQTYXPEOXMJB-QJBKVAQWSA-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/h1,5,7-8,10H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid?
(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid has a molecular weight of 249.20 g/mol, XLogP of 0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 14541469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).