4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid

C9H18NO5P — CID 14850726

IUPAC4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid
SMILESCC(C)(C1CCNC(C(=O)O)C1)P(=O)(O)O
InChIInChI=1S/C9H18NO5P/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)
InChIKeyDGUWELAWZPKQOE-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.40
Rot. Bonds3

About 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid

4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid (PubChem CID 14850726) has the molecular formula C9H18NO5P and a molecular weight of 251.22 g/mol. Its IUPAC name is 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid
PubChem CID14850726
Molecular FormulaC9H18NO5P
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid
SMILESCC(C)(C1CCNC(C(=O)O)C1)P(=O)(O)O
InChIInChI=1S/C9H18NO5P/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)
InChIKeyDGUWELAWZPKQOE-UHFFFAOYSA-N
XLogP0.40
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
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,4R)-4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid;hydrochloride
CID 67932299
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
(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
(2S)-4-tert-butylpyrrolidine-2-carboxylic acid
CID 68652206
(2R,4S)-4-tert-butylpiperidine-2-carboxamide
CID 178190291
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
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 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid (CID 14850726) is 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid is CC(C)(C1CCNC(C(=O)O)C1)P(=O)(O)O.
What is the InChIKey of 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid?
The InChIKey is DGUWELAWZPKQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO5P/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).
What are the key properties of 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid?
4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid has a molecular weight of 251.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phosphonopropan-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 14850726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).