5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid

C13H16N2O5 — CID 28931546

IUPAC5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOc1ccccc1NC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H16N2O5/c1-20-10-6-3-2-5-9(10)14-13(19)15-11(16)7-4-8-12(17)18/h2-3,5-6H,4,7-8H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyVFOYVQRYGGWBRJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.60
Rot. Bonds6

About 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid

5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 28931546) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID28931546
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOc1ccccc1NC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H16N2O5/c1-20-10-6-3-2-5-9(10)14-13(19)15-11(16)7-4-8-12(17)18/h2-3,5-6H,4,7-8H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyVFOYVQRYGGWBRJ-UHFFFAOYSA-N
XLogP1.60
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
4-[(2,5-dimethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746034
4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746072
5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931571
5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 107622131
5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931983
2-(2-hydroxyphenyl)-N-(2-methoxyphenyl)acetamide
CID 60615730
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931858
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 851954
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid (CID 28931546) is 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid is COc1ccccc1NC(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is VFOYVQRYGGWBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-20-10-6-3-2-5-9(10)14-13(19)15-11(16)7-4-8-12(17)18/h2-3,5-6H,4,7-8H2,1H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 280.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28931546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).