5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid

C13H15ClN2O4 — CID 28931571

IUPAC5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1c(Cl)cccc1NC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H15ClN2O4/c1-8-9(14)4-2-5-10(8)15-13(20)16-11(17)6-3-7-12(18)19/h2,4-5H,3,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyAQLMZNWIUHJZJX-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.55
Rot. Bonds5

About 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid

5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 28931571) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID28931571
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1c(Cl)cccc1NC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H15ClN2O4/c1-8-9(14)4-2-5-10(8)15-13(20)16-11(17)6-3-7-12(18)19/h2,4-5H,3,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyAQLMZNWIUHJZJX-UHFFFAOYSA-N
XLogP2.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931983
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746375
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013
5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931546
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
6-[(2,5-dichlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447201

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid (CID 28931571) is 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid is Cc1c(Cl)cccc1NC(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is AQLMZNWIUHJZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-8-9(14)4-2-5-10(8)15-13(20)16-11(17)6-3-7-12(18)19/h2,4-5H,3,6-7H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid?
5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 298.73 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28931571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).