4-[methyl(2-phenylpentanoyl)amino]butanoic acid

C16H23NO3 — CID 119172838

IUPAC4-[methyl(2-phenylpentanoyl)amino]butanoic acid
SMILESCCCC(C(=O)N(C)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-3-8-14(13-9-5-4-6-10-13)16(20)17(2)12-7-11-15(18)19/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3,(H,18,19)
InChIKeyFYPKJUGQAGCGQH-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.89
Rot. Bonds8

About 4-[methyl(2-phenylpentanoyl)amino]butanoic acid

4-[methyl(2-phenylpentanoyl)amino]butanoic acid (PubChem CID 119172838) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[methyl(2-phenylpentanoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-phenylpentanoyl)amino]butanoic acid
PubChem CID119172838
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[methyl(2-phenylpentanoyl)amino]butanoic acid
SMILESCCCC(C(=O)N(C)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-3-8-14(13-9-5-4-6-10-13)16(20)17(2)12-7-11-15(18)19/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3,(H,18,19)
InChIKeyFYPKJUGQAGCGQH-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[methyl(2-phenylethyl)amino]-6-oxo-5-phenylhexanoic acid
CID 69405899
4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
CID 119172841
4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909
4-[1-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058820
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
4-[N-(2-methylpentyl)anilino]butanoic acid
CID 62265556
methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
CID 54980359
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
CID 43329801

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-phenylpentanoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(2-phenylpentanoyl)amino]butanoic acid (CID 119172838) is 4-[methyl(2-phenylpentanoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(2-phenylpentanoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(2-phenylpentanoyl)amino]butanoic acid is CCCC(C(=O)N(C)CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[methyl(2-phenylpentanoyl)amino]butanoic acid?
The InChIKey is FYPKJUGQAGCGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-8-14(13-9-5-4-6-10-13)16(20)17(2)12-7-11-15(18)19/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl(2-phenylpentanoyl)amino]butanoic acid?
4-[methyl(2-phenylpentanoyl)amino]butanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-phenylpentanoyl)amino]butanoic acid is sourced from PubChem (CID 119172838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).