5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid

C11H12ClNO3 — CID 4685477

IUPAC5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
SMILESNC(=O)CC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H2,13,14)(H,15,16)
InChIKeyNLCJVRPOYTZTMS-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.77
Rot. Bonds5

About 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid

5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid (PubChem CID 4685477) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
PubChem CID4685477
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
SMILESNC(=O)CC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H2,13,14)(H,15,16)
InChIKeyNLCJVRPOYTZTMS-UHFFFAOYSA-N
XLogP1.77
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid?
The IUPAC name of 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid (CID 4685477) is 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid is NC(=O)CC(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid?
The InChIKey is NLCJVRPOYTZTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H2,13,14)(H,15,16).
What are the key properties of 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid?
5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid has a molecular weight of 241.67 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 4685477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).