3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid

C16H23NO3 — CID 60990079

IUPAC3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
SMILESCCC(C)C(C(=O)N(C)CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-12(2)15(13-8-6-5-7-9-13)16(20)17(3)11-10-14(18)19/h5-9,12,15H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyFWXIPCASQUTIRP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.75
Rot. Bonds7

About 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid

3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid (PubChem CID 60990079) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
PubChem CID60990079
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
SMILESCCC(C)C(C(=O)N(C)CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-12(2)15(13-8-6-5-7-9-13)16(20)17(3)11-10-14(18)19/h5-9,12,15H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyFWXIPCASQUTIRP-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide
CID 80658652
N-(2-hydroxypropyl)-N,3-dimethyl-2-phenylpentanamide
CID 62335322
N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide
CID 107205692
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
CID 61021604
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
CID 54980359
3-[methyl(2-phenylbutyl)amino]propanoic acid
CID 122037378
3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
CID 119172841
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
CID 119362623
N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
CID 102867408

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid (CID 60990079) is 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid is CCC(C)C(C(=O)N(C)CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid?
The InChIKey is FWXIPCASQUTIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-12(2)15(13-8-6-5-7-9-13)16(20)17(3)11-10-14(18)19/h5-9,12,15H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid?
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 60990079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).