5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid

C14H19NO3 — CID 62033790

IUPAC5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
SMILESCc1ccccc1CC(=O)NCCCCC(=O)O
InChIInChI=1S/C14H19NO3/c1-11-6-2-3-7-12(11)10-13(16)15-9-5-4-8-14(17)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyXCWNIGCKLXXAHP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds7

About 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid

5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid (PubChem CID 62033790) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
PubChem CID62033790
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
SMILESCc1ccccc1CC(=O)NCCCCC(=O)O
InChIInChI=1S/C14H19NO3/c1-11-6-2-3-7-12(11)10-13(16)15-9-5-4-8-14(17)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyXCWNIGCKLXXAHP-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
N-(5-iodopentyl)-2-(2-methylphenyl)acetamide
CID 107322612
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
4-[(2-methylphenyl)methylcarbamoylamino]butanoic acid
CID 28511327
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
7-[[2-(4-bromo-2-methylphenyl)acetyl]amino]heptanoic acid
CID 120524083
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
5-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 103256373
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoic acid
CID 43091712
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid (CID 62033790) is 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid is Cc1ccccc1CC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid?
The InChIKey is XCWNIGCKLXXAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-6-2-3-7-12(11)10-13(16)15-9-5-4-8-14(17)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid?
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 62033790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).