(2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride

C9H19ClNO5P — CID 67932299

IUPAC(2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride
SMILESCC(C)([C@@H]1CCN[C@H](C(=O)O)C1)P(=O)(O)O.Cl
InChIInChI=1S/C9H18NO5P.ClH/c1-9(2,16(13,14)15)6-3-4-10-7(5-6)8(11)12;/h6-7,10H,3-5H2,1-2H3,(H,11,12)(H2,13,14,15);1H/t6-,7+;/m1./s1
InChIKeySXERQNUIQSOLHN-HHQFNNIRSA-N
MW287.68 g/mol
LogP0.82
Rot. Bonds3

About (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride (PubChem CID 67932299) has the molecular formula C9H19ClNO5P and a molecular weight of 287.68 g/mol. Its IUPAC name is (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride
PubChem CID67932299
Molecular FormulaC9H19ClNO5P
Molecular Weight287.68 g/mol
Exact Mass287.07
IUPAC Name(2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride
SMILESCC(C)([C@@H]1CCN[C@H](C(=O)O)C1)P(=O)(O)O.Cl
InChIInChI=1S/C9H18NO5P.ClH/c1-9(2,16(13,14)15)6-3-4-10-7(5-6)8(11)12;/h6-7,10H,3-5H2,1-2H3,(H,11,12)(H2,13,14,15);1H/t6-,7+;/m1./s1
InChIKeySXERQNUIQSOLHN-HHQFNNIRSA-N
XLogP0.82
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.68
LogP ≤ 50.82
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-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid
CID 14850726
4-[(1,3-dioxo-5-phosphono-2,4-dioxa-1λ5,3λ5-diphosphabicyclo[1.1.1]pentan-5-yl)-diphosphonomethyl]piperidine-2-carboxylic acid
CID 141217196
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
(2S)-4-tert-butylpyrrolidine-2-carboxylic acid
CID 68652206
(2R,4S)-4-tert-butylpiperidine-2-carboxamide
CID 178190291
4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 71435178
(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
CID 21126371
(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid
CID 178194781
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541469

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride (CID 67932299) is (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride is CC(C)([C@@H]1CCN[C@H](C(=O)O)C1)P(=O)(O)O.Cl.
What is the InChIKey of (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride?
The InChIKey is SXERQNUIQSOLHN-HHQFNNIRSA-N. The full InChI is InChI=1S/C9H18NO5P.ClH/c1-9(2,16(13,14)15)6-3-4-10-7(5-6)8(11)12;/h6-7,10H,3-5H2,1-2H3,(H,11,12)(H2,13,14,15);1H/t6-,7+;/m1./s1.
What are the key properties of (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride has a molecular weight of 287.68 g/mol, XLogP of 0.82, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67932299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).