(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid

C7H14NO5P — CID 135373119

IUPAC(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(CP(=O)(O)O)CCN1
InChIInChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5?,6-/m0/s1
InChIKeyLPMRCCNDNGONCD-GDVGLLTNSA-N
MW223.16 g/mol
LogP-0.38
Rot. Bonds3

About (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid

(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid (PubChem CID 135373119) has the molecular formula C7H14NO5P and a molecular weight of 223.16 g/mol. Its IUPAC name is (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
PubChem CID135373119
Molecular FormulaC7H14NO5P
Molecular Weight223.16 g/mol
Exact Mass223.06
IUPAC Name(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(CP(=O)(O)O)CCN1
InChIInChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5?,6-/m0/s1
InChIKeyLPMRCCNDNGONCD-GDVGLLTNSA-N
XLogP-0.38
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 5-0.38
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

[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
CID 14850749
(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-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541469
(2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid
CID 14850696
(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
CID 139957952
4-prop-2-enylpiperidine-2-carboxylic acid
CID 70583739
6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxylic acid;hydrate;hydrochloride
CID 70340120
4-(3-methylbutyl)piperidine-2-carboxylic acid
CID 82397672
5-(cyclopropylmethyl)azepane-2-carboxylic acid
CID 18446400
azetidine-2-carboxylic acid;hydrochloride
CID 45358168

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid (CID 135373119) is (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CC(CP(=O)(O)O)CCN1.
What is the InChIKey of (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid?
The InChIKey is LPMRCCNDNGONCD-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5?,6-/m0/s1.
What are the key properties of (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid?
(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid has a molecular weight of 223.16 g/mol, XLogP of -0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 135373119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).