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

C16H23NO3 — CID 104681984

IUPAC2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
SMILESCC(CCCNC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-11(2)13-6-8-14(9-7-13)15(18)17-10-4-5-12(3)16(19)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyUBAFQNCPRHICEX-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.04
Rot. Bonds7

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

2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid (PubChem CID 104681984) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
PubChem CID104681984
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
SMILESCC(CCCNC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-11(2)13-6-8-14(9-7-13)15(18)17-10-4-5-12(3)16(19)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyUBAFQNCPRHICEX-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.04
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

2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid
CID 104682533
2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 104681875
5-[(3-amino-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 112547774
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
5-[(3-fluoro-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104682472
4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 80539044
5-[(3,5-dibromobenzoyl)amino]-2-methylpentanoic acid
CID 107971700
2-methyl-5-[(3,4,5-trifluorobenzoyl)amino]pentanoic acid
CID 104682373
N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide
CID 167366096
5-[(3-carbamoylbenzoyl)amino]-2-methylpentanoic acid
CID 104682792
5-[(3-chloro-5-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid (CID 104681984) is 2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid is CC(CCCNC(=O)c1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid?
The InChIKey is UBAFQNCPRHICEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)13-6-8-14(9-7-13)15(18)17-10-4-5-12(3)16(19)20/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid?
2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 104681984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).