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

C16H20N2O5 — CID 120517637

IUPAC2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H20N2O5/c1-2-23-13-6-4-3-5-12(13)16(22)17-9-14(19)18(10-15(20)21)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyCHWXEFUDYULKPG-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.89
Rot. Bonds8

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

2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 120517637) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
PubChem CID120517637
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
SMILESCCOc1ccccc1C(=O)NCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H20N2O5/c1-2-23-13-6-4-3-5-12(13)16(22)17-9-14(19)18(10-15(20)21)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyCHWXEFUDYULKPG-UHFFFAOYSA-N
XLogP0.89
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7042884
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60827374
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120524322
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 34415855
N-(2-aminoethyl)-N-cyclopropyl-2-ethoxybenzamide
CID 61349951
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 51273774
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid (CID 120517637) is 2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid is CCOc1ccccc1C(=O)NCC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is CHWXEFUDYULKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-2-23-13-6-4-3-5-12(13)16(22)17-9-14(19)18(10-15(20)21)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid?
2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 120517637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).