2-[3-(4-methylphenyl)pentanoylamino]propanoic acid

C15H21NO3 — CID 119225866

IUPAC2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
SMILESCCC(CC(=O)NC(C)C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3/c1-4-12(13-7-5-10(2)6-8-13)9-14(17)16-11(3)15(18)19/h5-8,11-12H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNGOUMJNSAACMMW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds6

About 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid

2-[3-(4-methylphenyl)pentanoylamino]propanoic acid (PubChem CID 119225866) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
PubChem CID119225866
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
SMILESCCC(CC(=O)NC(C)C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3/c1-4-12(13-7-5-10(2)6-8-13)9-14(17)16-11(3)15(18)19/h5-8,11-12H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNGOUMJNSAACMMW-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide
CID 119585731
3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119177620
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
(2S)-2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119942975
2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119349149
(2S)-4-methyl-2-(3-phenylpentanoylamino)pentanoic acid
CID 119362028
2-[[4-(4-methylanilino)-4-oxobutanoyl]amino]propanoic acid
CID 82043438
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
CID 111435900
2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid
CID 119198808

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid?
The IUPAC name of 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid (CID 119225866) is 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid.
What is the SMILES notation for 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid?
The canonical SMILES for 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid is CCC(CC(=O)NC(C)C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid?
The InChIKey is NGOUMJNSAACMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-12(13-7-5-10(2)6-8-13)9-14(17)16-11(3)15(18)19/h5-8,11-12H,4,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid?
2-[3-(4-methylphenyl)pentanoylamino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)pentanoylamino]propanoic acid is sourced from PubChem (CID 119225866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).