2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid

C15H21NO4 — CID 81077077

IUPAC2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
SMILESCCc1ccc(C(=O)NC(CCCOC)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-3-11-6-8-12(9-7-11)14(17)16-13(15(18)19)5-4-10-20-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGBVWJQPOOSSOAT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.86
Rot. Bonds8

About 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid

2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid (PubChem CID 81077077) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
PubChem CID81077077
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
SMILESCCc1ccc(C(=O)NC(CCCOC)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-3-11-6-8-12(9-7-11)14(17)16-13(15(18)19)5-4-10-20-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGBVWJQPOOSSOAT-UHFFFAOYSA-N
XLogP1.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
2-[[4-(2-aminoethyl)benzoyl]amino]-5-methoxypentanoic acid
CID 81084211
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643
5-methoxy-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 81085680
2-[(3,4-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077142
2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076917
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076583
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid (CID 81077077) is 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid is CCc1ccc(C(=O)NC(CCCOC)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid?
The InChIKey is GBVWJQPOOSSOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-11-6-8-12(9-7-11)14(17)16-13(15(18)19)5-4-10-20-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid?
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81077077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).