5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid

C13H15ClN2O5 — CID 107622131

IUPAC5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOc1cc(NC(=O)NC(=O)CCCC(=O)O)ccc1Cl
InChIInChI=1S/C13H15ClN2O5/c1-21-10-7-8(5-6-9(10)14)15-13(20)16-11(17)3-2-4-12(18)19/h5-7H,2-4H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyYCSFBSFFJSIUGI-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.25
Rot. Bonds6

About 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid

5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107622131) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.73 g/mol. Its IUPAC name is 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107622131
Molecular FormulaC13H15ClN2O5
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOc1cc(NC(=O)NC(=O)CCCC(=O)O)ccc1Cl
InChIInChI=1S/C13H15ClN2O5/c1-21-10-7-8(5-6-9(10)14)15-13(20)16-11(17)3-2-4-12(18)19/h5-7H,2-4H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyYCSFBSFFJSIUGI-UHFFFAOYSA-N
XLogP2.25
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
CID 107623363
5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931546
N-[(4-bromo-3-methoxyphenyl)carbamoyl]-3-chloropropanamide
CID 82860469
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
6-[(3-chlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447317
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058
5-[(4-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931821
5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28976735
2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
CID 143179500
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
3-[(4-chloro-3-methoxyphenyl)carbamoylamino]-2-methoxypropanoic acid
CID 106110647
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid (CID 107622131) is 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid is COc1cc(NC(=O)NC(=O)CCCC(=O)O)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is YCSFBSFFJSIUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5/c1-21-10-7-8(5-6-9(10)14)15-13(20)16-11(17)3-2-4-12(18)19/h5-7H,2-4H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 314.73 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107622131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).