2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid

C16H21NO4 — CID 62696875

IUPAC2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid
SMILESCCOc1ccccc1CCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H21NO4/c1-2-21-13-6-4-3-5-11(13)9-10-14(18)17-15(16(19)20)12-7-8-12/h3-6,12,15H,2,7-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyCQQACAWCUYMIDE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.00
Rot. Bonds8

About 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid

2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid (PubChem CID 62696875) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid
PubChem CID62696875
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid
SMILESCCOc1ccccc1CCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H21NO4/c1-2-21-13-6-4-3-5-11(13)9-10-14(18)17-15(16(19)20)12-7-8-12/h3-6,12,15H,2,7-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyCQQACAWCUYMIDE-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic 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-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 43171627
N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 110833199
3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877597
3-(2-ethoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 78809618
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
2-cyclopropyl-2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]acetic acid
CID 119214054
3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134049400
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
CID 87011276
methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 86841468
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid (CID 62696875) is 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid is CCOc1ccccc1CCC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid?
The InChIKey is CQQACAWCUYMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-21-13-6-4-3-5-11(13)9-10-14(18)17-15(16(19)20)12-7-8-12/h3-6,12,15H,2,7-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid?
2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid is sourced from PubChem (CID 62696875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).