2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid

C20H21NO4 — CID 120517664

IUPAC2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid
SMILESCCOc1ccccc1-c1cccc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C20H21NO4/c1-2-25-18-9-4-3-8-17(18)14-6-5-7-15(12-14)20(24)21(13-19(22)23)16-10-11-16/h3-9,12,16H,2,10-11,13H2,1H3,(H,22,23)
InChIKeyJYWMPBSIKNRMPT-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.44
Rot. Bonds7

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

2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid (PubChem CID 120517664) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid
PubChem CID120517664
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid
SMILESCCOc1ccccc1-c1cccc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C20H21NO4/c1-2-25-18-9-4-3-8-17(18)14-6-5-7-15(12-14)20(24)21(13-19(22)23)16-10-11-16/h3-9,12,16H,2,10-11,13H2,1H3,(H,22,23)
InChIKeyJYWMPBSIKNRMPT-UHFFFAOYSA-N
XLogP3.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 129408081
2-[cyclopropyl-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 60826708
2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid
CID 119195397
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97108815
2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 120517637
2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid
CID 120523341
2-[cyclopropyl-[3-(3-methylbut-2-enoxy)benzoyl]amino]acetic acid
CID 119195282
(2S,3S)-1-[3-(2-ethoxyphenyl)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116816
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
CID 119195213
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
2-[4-[3-(2-ethoxyphenyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 120520688

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid (CID 120517664) is 2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid is CCOc1ccccc1-c1cccc(C(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid?
The InChIKey is JYWMPBSIKNRMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-25-18-9-4-3-8-17(18)14-6-5-7-15(12-14)20(24)21(13-19(22)23)16-10-11-16/h3-9,12,16H,2,10-11,13H2,1H3,(H,22,23).
What are the key properties of 2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid?
2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid has a molecular weight of 339.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 120517664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).