5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid

C16H23NO4 — CID 119234678

IUPAC5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
SMILESCC(C)Oc1cccc(CC(=O)NCCCCC(=O)O)c1
InChIInChI=1S/C16H23NO4/c1-12(2)21-14-7-5-6-13(10-14)11-15(18)17-9-4-3-8-16(19)20/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKKZVETUIJRLQQZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.39
Rot. Bonds9

About 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid

5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 119234678) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
PubChem CID119234678
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
SMILESCC(C)Oc1cccc(CC(=O)NCCCCC(=O)O)c1
InChIInChI=1S/C16H23NO4/c1-12(2)21-14-7-5-6-13(10-14)11-15(18)17-9-4-3-8-16(19)20/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKKZVETUIJRLQQZ-UHFFFAOYSA-N
XLogP2.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[2-(3-propan-2-yloxyphenyl)acetyl]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

5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid
CID 62033755
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid
CID 119252327
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689
2-[3-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 61398251
4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
CID 94966713
3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 100603157
3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 100720745
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid (CID 119234678) is 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid is CC(C)Oc1cccc(CC(=O)NCCCCC(=O)O)c1.
What is the InChIKey of 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is KKZVETUIJRLQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(2)21-14-7-5-6-13(10-14)11-15(18)17-9-4-3-8-16(19)20/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119234678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).