2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid

C13H17NO5 — CID 43092046

IUPAC2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
SMILESCCOc1ccc(C(=O)NC(C)C(=O)O)cc1OC
InChIInChI=1S/C13H17NO5/c1-4-19-10-6-5-9(7-11(10)18-3)12(15)14-8(2)13(16)17/h5-8H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHVASFZRNCAYCCG-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.30
Rot. Bonds6

About 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid

2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid (PubChem CID 43092046) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
PubChem CID43092046
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
SMILESCCOc1ccc(C(=O)NC(C)C(=O)O)cc1OC
InChIInChI=1S/C13H17NO5/c1-4-19-10-6-5-9(7-11(10)18-3)12(15)14-8(2)13(16)17/h5-8H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHVASFZRNCAYCCG-UHFFFAOYSA-N
XLogP1.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 119369773
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
(2S)-2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120525982
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120523671
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid (CID 43092046) is 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid is CCOc1ccc(C(=O)NC(C)C(=O)O)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid?
The InChIKey is HVASFZRNCAYCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-19-10-6-5-9(7-11(10)18-3)12(15)14-8(2)13(16)17/h5-8H,4H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid?
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 43092046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).