4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid

C15H22N2O4 — CID 107840212

IUPAC4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCCCN(C(=O)NCCC(O)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-2-3-11-17(12-7-5-4-6-8-12)15(21)16-10-9-13(18)14(19)20/h4-8,13,18H,2-3,9-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyPEKKLLQVVANAGX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.84
Rot. Bonds8

About 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid

4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107840212) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107840212
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCCCN(C(=O)NCCC(O)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-2-3-11-17(12-7-5-4-6-8-12)15(21)16-10-9-13(18)14(19)20/h4-8,13,18H,2-3,9-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyPEKKLLQVVANAGX-UHFFFAOYSA-N
XLogP1.84
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
(2S)-4-[[benzyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 104934154
3-[[butyl(phenyl)carbamoyl]amino]butanoic acid
CID 64585223
1-(3-amino-3-sulfanylidenepropyl)-3-butyl-1-phenylurea
CID 28787290
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea
CID 51062904

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 107840212) is 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid is CCCCN(C(=O)NCCC(O)C(=O)O)c1ccccc1.
What is the InChIKey of 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is PEKKLLQVVANAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-3-11-17(12-7-5-4-6-8-12)15(21)16-10-9-13(18)14(19)20/h4-8,13,18H,2-3,9-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid?
4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107840212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).