2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid

C19H21NO4 — CID 120523341

IUPAC2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid
SMILESCCOc1ccccc1-c1cccc(C(=O)NC(CC)C(=O)O)c1
InChIInChI=1S/C19H21NO4/c1-3-16(19(22)23)20-18(21)14-9-7-8-13(12-14)15-10-5-6-11-17(15)24-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyWAUMQVCVYLKUPG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.35
Rot. Bonds7

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

2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid (PubChem CID 120523341) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid
PubChem CID120523341
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid
SMILESCCOc1ccccc1-c1cccc(C(=O)NC(CC)C(=O)O)c1
InChIInChI=1S/C19H21NO4/c1-3-16(19(22)23)20-18(21)14-9-7-8-13(12-14)15-10-5-6-11-17(15)24-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyWAUMQVCVYLKUPG-UHFFFAOYSA-N
XLogP3.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97108815
(2R)-2-[(3-methylbenzoyl)amino]butanoic acid
CID 42255033
2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid
CID 120517664
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
(2S)-2-[[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]butanedioic acid
CID 10743696
(2S)-2-[(2-ethoxy-6-phenylbenzoyl)amino]-4-sulfobutanoic acid
CID 89123680
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid (CID 120523341) is 2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid is CCOc1ccccc1-c1cccc(C(=O)NC(CC)C(=O)O)c1.
What is the InChIKey of 2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid?
The InChIKey is WAUMQVCVYLKUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-16(19(22)23)20-18(21)14-9-7-8-13(12-14)15-10-5-6-11-17(15)24-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid?
2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 120523341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).