5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid

C16H23NO4 — CID 81085643

IUPAC5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-11(2)12-6-8-13(9-7-12)15(18)17-14(16(19)20)5-4-10-21-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyONAKHHYFTAISJZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.42
Rot. Bonds8

About 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid

5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid (PubChem CID 81085643) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
PubChem CID81085643
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-11(2)12-6-8-13(9-7-12)15(18)17-14(16(19)20)5-4-10-21-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyONAKHHYFTAISJZ-UHFFFAOYSA-N
XLogP2.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.42
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
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
5-methoxy-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 81085680
2-[[4-(2-aminoethyl)benzoyl]amino]-5-methoxypentanoic acid
CID 81084211
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
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 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid (CID 81085643) is 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid is COCCCC(NC(=O)c1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid?
The InChIKey is ONAKHHYFTAISJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)12-6-8-13(9-7-12)15(18)17-14(16(19)20)5-4-10-21-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid?
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 81085643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).