3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid

C16H21NO4 — CID 103161884

IUPAC3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid
SMILESCCOC1CC(CC(=O)Nc2cccc(C(=O)O)c2C)C1
InChIInChI=1S/C16H21NO4/c1-3-21-12-7-11(8-12)9-15(18)17-14-6-4-5-13(10(14)2)16(19)20/h4-6,11-12H,3,7-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPGZAOLXTFRWEGE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.84
Rot. Bonds6

About 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid

3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid (PubChem CID 103161884) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid
PubChem CID103161884
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid
SMILESCCOC1CC(CC(=O)Nc2cccc(C(=O)O)c2C)C1
InChIInChI=1S/C16H21NO4/c1-3-21-12-7-11(8-12)9-15(18)17-14-6-4-5-13(10(14)2)16(19)20/h4-6,11-12H,3,7-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPGZAOLXTFRWEGE-UHFFFAOYSA-N
XLogP2.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic 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-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103161729
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
N-(2-carbamothioyl-3-methylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107805706
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
3-[(2-bromoacetyl)amino]-2-methylbenzoic acid
CID 63679679
3-[[2-(carboxymethoxy)acetyl]amino]-2-methylbenzoic acid
CID 61327665
N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 138015104
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
CID 112561851
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid
CID 103161966
3-(3,3-dimethylbutanoylamino)-2-methylbenzoic acid
CID 55025823

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid?
The IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid (CID 103161884) is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid is CCOC1CC(CC(=O)Nc2cccc(C(=O)O)c2C)C1.
What is the InChIKey of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid?
The InChIKey is PGZAOLXTFRWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-21-12-7-11(8-12)9-15(18)17-14-6-4-5-13(10(14)2)16(19)20/h4-6,11-12H,3,7-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid?
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 103161884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).