5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid

C15H21NO3 — CID 119235222

IUPAC5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
SMILESCCc1ccc(CC(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-2-12-6-8-13(9-7-12)11-14(17)16-10-4-3-5-15(18)19/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyMROYPYAWMBPWCW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.16
Rot. Bonds8

About 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid

5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid (PubChem CID 119235222) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
PubChem CID119235222
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
SMILESCCc1ccc(CC(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-2-12-6-8-13(9-7-12)11-14(17)16-10-4-3-5-15(18)19/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyMROYPYAWMBPWCW-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.16
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

5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425
2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119432439
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 94693925
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
CID 119220030
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid (CID 119235222) is 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid is CCc1ccc(CC(=O)NCCCCC(=O)O)cc1.
What is the InChIKey of 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid?
The InChIKey is MROYPYAWMBPWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-12-6-8-13(9-7-12)11-14(17)16-10-4-3-5-15(18)19/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid?
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119235222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).