5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid

C12H15N3O4 — CID 54868224

IUPAC5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
SMILESNC(=O)Nc1cccc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C12H15N3O4/c13-12(19)15-9-4-1-3-8(7-9)14-10(16)5-2-6-11(17)18/h1,3-4,7H,2,5-6H2,(H,14,16)(H,17,18)(H3,13,15,19)
InChIKeyONCNIRGZKAENBZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.37
Rot. Bonds6

About 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid

5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid (PubChem CID 54868224) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
PubChem CID54868224
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
SMILESNC(=O)Nc1cccc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C12H15N3O4/c13-12(19)15-9-4-1-3-8(7-9)14-10(16)5-2-6-11(17)18/h1,3-4,7H,2,5-6H2,(H,14,16)(H,17,18)(H3,13,15,19)
InChIKeyONCNIRGZKAENBZ-UHFFFAOYSA-N
XLogP1.37
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
3-(4-carboxybutanoylamino)benzoic acid
CID 735327
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
6-(3-methylsulfanylanilino)-6-oxohexanoic acid
CID 43529412
6-(3-ethynylanilino)-6-oxohexanoic acid
CID 43529234
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
CID 55706773
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474

Frequently Asked Questions

What is the IUPAC name of 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid (CID 54868224) is 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid is NC(=O)Nc1cccc(NC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid?
The InChIKey is ONCNIRGZKAENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-12(19)15-9-4-1-3-8(7-9)14-10(16)5-2-6-11(17)18/h1,3-4,7H,2,5-6H2,(H,14,16)(H,17,18)(H3,13,15,19).
What are the key properties of 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid?
5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid has a molecular weight of 265.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 54868224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).