3-[(2-ethoxybenzoyl)amino]propanoic acid

C12H15NO4 — CID 665917

IUPAC3-[(2-ethoxybenzoyl)amino]propanoic acid
SMILESCCOc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/C12H15NO4/c1-2-17-10-6-4-3-5-9(10)12(16)13-8-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyHDEDNCHKAKBPHH-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.29
Rot. Bonds6

About 3-[(2-ethoxybenzoyl)amino]propanoic acid

3-[(2-ethoxybenzoyl)amino]propanoic acid (PubChem CID 665917) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[(2-ethoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxybenzoyl)amino]propanoic acid
PubChem CID665917
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[(2-ethoxybenzoyl)amino]propanoic acid
SMILESCCOc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/C12H15NO4/c1-2-17-10-6-4-3-5-9(10)12(16)13-8-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyHDEDNCHKAKBPHH-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid
CID 68548212
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
3-[(4-chloro-2-ethoxybenzoyl)amino]propanoic acid
CID 120515164
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395275

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(2-ethoxybenzoyl)amino]propanoic acid (CID 665917) is 3-[(2-ethoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-ethoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-ethoxybenzoyl)amino]propanoic acid is CCOc1ccccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-ethoxybenzoyl)amino]propanoic acid?
The InChIKey is HDEDNCHKAKBPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-17-10-6-4-3-5-9(10)12(16)13-8-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(2-ethoxybenzoyl)amino]propanoic acid?
3-[(2-ethoxybenzoyl)amino]propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 665917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).