2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid

C14H18N2O5 — CID 120523615

IUPAC2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-3-21-11-6-4-10(5-7-11)13(18)15-8-12(17)16-9(2)14(19)20/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyMTDJXYMOZYQFIE-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.40
Rot. Bonds7

About 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid

2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid (PubChem CID 120523615) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
PubChem CID120523615
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-3-21-11-6-4-10(5-7-11)13(18)15-8-12(17)16-9(2)14(19)20/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyMTDJXYMOZYQFIE-UHFFFAOYSA-N
XLogP0.40
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
CID 46603352
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 56544711
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 120520387
(2S)-2-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 119943039
4-ethoxy-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 46678584
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561
4-ethoxy-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 43067377
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616
4-ethoxy-N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 134058778
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid (CID 120523615) is 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid is CCOc1ccc(C(=O)NCC(=O)NC(C)C(=O)O)cc1.
What is the InChIKey of 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid?
The InChIKey is MTDJXYMOZYQFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-21-11-6-4-10(5-7-11)13(18)15-8-12(17)16-9(2)14(19)20/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid?
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 120523615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).