1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid

C15H19ClN2O3 — CID 86789165

IUPAC1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c16-12-5-3-4-11(8-12)9-17-14(19)10-18-7-2-1-6-13(18)15(20)21/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyYQYHPLIYMAASOR-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.90
Rot. Bonds5

About 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid

1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 86789165) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID86789165
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c16-12-5-3-4-11(8-12)9-17-14(19)10-18-7-2-1-6-13(18)15(20)21/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyYQYHPLIYMAASOR-UHFFFAOYSA-N
XLogP1.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
(2S)-1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71914135
2-[(2S,3R)-2,3-bis(hydroxymethyl)piperidin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 138029793
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide
CID 91833046
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975591
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 11940864
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441373
1-[(3-chlorophenyl)methylsulfonyl]piperidine-2-carboxylic acid
CID 122070195
(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910385

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid (CID 86789165) is 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid is O=C(CN1CCCCC1C(=O)O)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is YQYHPLIYMAASOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-12-5-3-4-11(8-12)9-17-14(19)10-18-7-2-1-6-13(18)15(20)21/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 86789165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).