2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid

C13H16N2O5 — CID 43387480

IUPAC2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H16N2O5/c1-2-20-10-6-4-3-5-9(10)13(19)15-7-11(16)14-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyZXRYPKQQIDRGTA-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.02
Rot. Bonds7

About 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 43387480) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
PubChem CID43387480
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H16N2O5/c1-2-20-10-6-4-3-5-9(10)13(19)15-7-11(16)14-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyZXRYPKQQIDRGTA-UHFFFAOYSA-N
XLogP0.02
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396087
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 41375551
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304
methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 24554412
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 120517637

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid (CID 43387480) is 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid is CCOc1ccccc1C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is ZXRYPKQQIDRGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-20-10-6-4-3-5-9(10)13(19)15-7-11(16)14-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).