(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid

C9H18NO5P — CID 21126371

IUPAC(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](CCCP(=O)(O)O)CCN1
InChIInChI=1S/C9H18NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h7-8,10H,1-6H2,(H,11,12)(H2,13,14,15)/t7-,8+/m1/s1
InChIKeyABIFUJNCKIMWRZ-SFYZADRCSA-N
MW251.22 g/mol
LogP0.40
Rot. Bonds5

About (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid

(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid (PubChem CID 21126371) has the molecular formula C9H18NO5P and a molecular weight of 251.22 g/mol. Its IUPAC name is (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
PubChem CID21126371
Molecular FormulaC9H18NO5P
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](CCCP(=O)(O)O)CCN1
InChIInChI=1S/C9H18NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h7-8,10H,1-6H2,(H,11,12)(H2,13,14,15)/t7-,8+/m1/s1
InChIKeyABIFUJNCKIMWRZ-SFYZADRCSA-N
XLogP0.40
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.40
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

(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
4-(3-methylbutyl)piperidine-2-carboxylic acid
CID 82397672
(2S,4R)-4-(sulfanylmethyl)piperidine-2-carboxylic acid
CID 137455013
(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541469
(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
CID 139957952
4-prop-2-enylpiperidine-2-carboxylic acid
CID 70583739
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]piperidine-2-carboxylic acid
CID 175868940
[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
CID 14850749
4-(3-phosphonopropyl)piperazine-2-carboxylic acid;hydrochloride
CID 139889844
5-(cyclopropylmethyl)azepane-2-carboxylic acid
CID 18446400
5-(4-methoxybutyl)azepane-2-carboxylic acid
CID 69224160

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid (CID 21126371) is (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](CCCP(=O)(O)O)CCN1.
What is the InChIKey of (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid?
The InChIKey is ABIFUJNCKIMWRZ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h7-8,10H,1-6H2,(H,11,12)(H2,13,14,15)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid?
(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid has a molecular weight of 251.22 g/mol, XLogP of 0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 21126371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).