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

C16H23NO4 — CID 104681875

IUPAC2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
SMILESCC(C)Oc1ccc(C(=O)NCCCC(C)C(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-11(2)21-14-8-6-13(7-9-14)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)
InChIKeyOKEWJCFKGSCYRM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.70
Rot. Bonds8

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

2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid (PubChem CID 104681875) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
PubChem CID104681875
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
SMILESCC(C)Oc1ccc(C(=O)NCCCC(C)C(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-11(2)21-14-8-6-13(7-9-14)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)
InChIKeyOKEWJCFKGSCYRM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 107833905
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 104681984
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid
CID 104682533
5-[(3-amino-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 112547774
5-[(3-fluoro-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104682472
2-methyl-5-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114819196
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 80539044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid (CID 104681875) is 2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid is CC(C)Oc1ccc(C(=O)NCCCC(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid?
The InChIKey is OKEWJCFKGSCYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)21-14-8-6-13(7-9-14)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-yloxybenzoyl)amino]pentanoic acid?
2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 104681875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).