4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid

C15H22N2O3 — CID 61188835

IUPAC4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
SMILESCC(C)CNC(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(2)11-16-15(20)17(10-6-9-14(18)19)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXUHYDMFVGFRSMT-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.72
Rot. Bonds7

About 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid

4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid (PubChem CID 61188835) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
PubChem CID61188835
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
SMILESCC(C)CNC(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(2)11-16-15(20)17(10-6-9-14(18)19)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXUHYDMFVGFRSMT-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
CID 61188489
4-[N-(3-methylsulfanylpropylcarbamoyl)anilino]butanoic acid
CID 63958568
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
CID 113123336
4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid
CID 62335673
3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
CID 62275370
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
CID 61187915
2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
CID 61189187
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid (CID 61188835) is 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid is CC(C)CNC(=O)N(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid?
The InChIKey is XUHYDMFVGFRSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(2)11-16-15(20)17(10-6-9-14(18)19)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid?
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid is sourced from PubChem (CID 61188835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).