5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid

C13H16ClNO3 — CID 2169838

IUPAC5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c14-11-4-1-3-10(9-11)7-8-15-12(16)5-2-6-13(17)18/h1,3-4,9H,2,5-8H2,(H,15,16)(H,17,18)
InChIKeyZECLIOORQNFEAX-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.25
Rot. Bonds7

About 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid

5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 2169838) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid
PubChem CID2169838
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c14-11-4-1-3-10(9-11)7-8-15-12(16)5-2-6-13(17)18/h1,3-4,9H,2,5-8H2,(H,15,16)(H,17,18)
InChIKeyZECLIOORQNFEAX-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid
CID 1769580
N-(2-Phenethyl)glutaramic acid
CID 4301834
5-Oxo-5-[(3-phenylpropyl)amino]pentanoic acid
CID 2164885
5-Oxo-5-(4-phenylbutylamino)pentanoic acid
CID 2166775
2-[1-[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738145
2-[1-[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738146
6-({[2-(3-Chlorophenyl)ethyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
CID 2933843
4-{[2-(4-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid
CID 3924042
5-[2-(4-Chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 4685096
5-[2-(4-Fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 11276830
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
2-((1-((4-Chlorophenethyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11639199

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid (CID 2169838) is 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is ZECLIOORQNFEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-11-4-1-3-10(9-11)7-8-15-12(16)5-2-6-13(17)18/h1,3-4,9H,2,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid?
5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 2169838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).