(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid

C14H17NO4 — CID 129430805

IUPAC(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN([C@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)11-7-4-8-15(9-11)12(14(18)19)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyYCBCABREDAILQA-NEPJUHHUSA-N
MW263.29 g/mol
LogP1.61
Rot. Bonds4

About (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid

(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 129430805) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
PubChem CID129430805
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN([C@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)11-7-4-8-15(9-11)12(14(18)19)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyYCBCABREDAILQA-NEPJUHHUSA-N
XLogP1.61
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
1-[carboxy(1H-indol-3-yl)methyl]piperidine-3-carboxylic acid
CID 42649452
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
1-[carboxy-(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 84748632
1-(1-anilino-1-oxo-3-phenylbutan-2-yl)piperidine-3-carboxylic acid
CID 57152690
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5201610
1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765
tert-butyl (3S)-1-(1-phenylethyl)piperidine-3-carboxylate;(3S)-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 162050309
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
(2S)-1-[(S)-carboxy(phenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71614177

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid (CID 129430805) is (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN([C@H](C(=O)O)c2ccccc2)C1.
What is the InChIKey of (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is YCBCABREDAILQA-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(17)11-7-4-8-15(9-11)12(14(18)19)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1.
What are the key properties of (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid?
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129430805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).