2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

C14H17N3O4 — CID 119205713

IUPAC2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-2-16(9-12(18)19)13(20)10-3-5-11(6-4-10)17-8-7-15-14(17)21/h3-6H,2,7-9H2,1H3,(H,15,21)(H,18,19)
InChIKeyRLXKMWSQAUEVQT-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.76
Rot. Bonds5

About 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (PubChem CID 119205713) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
PubChem CID119205713
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-2-16(9-12(18)19)13(20)10-3-5-11(6-4-10)17-8-7-15-14(17)21/h3-6H,2,7-9H2,1H3,(H,15,21)(H,18,19)
InChIKeyRLXKMWSQAUEVQT-UHFFFAOYSA-N
XLogP0.76
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(2-oxoimidazolidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 51299130
2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119206131
N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 60598665
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 56512322
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517125
N-cyclooctyl-N-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 75368967
1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120540235
2-[2,3-dihydro-1H-isoindole-5-carbonyl(ethyl)amino]acetic acid
CID 112547700
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 146135248
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 138997006
1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 78917136

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (CID 119205713) is 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is RLXKMWSQAUEVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-16(9-12(18)19)13(20)10-3-5-11(6-4-10)17-8-7-15-14(17)21/h3-6H,2,7-9H2,1H3,(H,15,21)(H,18,19).
What are the key properties of 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119205713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).