5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid

C16H23NO4 — CID 60941628

IUPAC5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid
SMILESCC(C)Oc1ccccc1C(C)NC(=O)CCCC(=O)O
InChIInChI=1S/C16H23NO4/c1-11(2)21-14-8-5-4-7-13(14)12(3)17-15(18)9-6-10-16(19)20/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGVLHEFWYXDNHPJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.91
Rot. Bonds8

About 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid

5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid (PubChem CID 60941628) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid
PubChem CID60941628
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid
SMILESCC(C)Oc1ccccc1C(C)NC(=O)CCCC(=O)O
InChIInChI=1S/C16H23NO4/c1-11(2)21-14-8-5-4-7-13(14)12(3)17-15(18)9-6-10-16(19)20/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGVLHEFWYXDNHPJ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]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

2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
2-(propan-2-ylamino)-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 60841302
3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
CID 43716797
N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287379
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
CID 43701721
2-[2-[1-[2-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569362
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid?
The IUPAC name of 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid (CID 60941628) is 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid is CC(C)Oc1ccccc1C(C)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid?
The InChIKey is GVLHEFWYXDNHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)21-14-8-5-4-7-13(14)12(3)17-15(18)9-6-10-16(19)20/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid?
5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid is sourced from PubChem (CID 60941628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).