2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid

C13H16N4O5 — CID 155490415

IUPAC2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid
SMILESNC(=O)CNC(=O)N(CC(=O)O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H16N4O5/c14-10(18)7-16-13(22)17(8-11(19)20)12(21)15-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,14,18)(H,15,21)(H,16,22)(H,19,20)
InChIKeyWRBKJFOIAJKJOO-UHFFFAOYSA-N
MW308.29 g/mol
LogP-0.52
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid (PubChem CID 155490415) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid
PubChem CID155490415
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid
SMILESNC(=O)CNC(=O)N(CC(=O)O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H16N4O5/c14-10(18)7-16-13(22)17(8-11(19)20)12(21)15-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,14,18)(H,15,21)(H,16,22)(H,19,20)
InChIKeyWRBKJFOIAJKJOO-UHFFFAOYSA-N
XLogP-0.52
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzylcarbamothioylamino)acetamide
CID 123762736
2-[benzylcarbamoyl(methylamino)amino]acetic acid
CID 68944588
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
CID 107653133
benzene;benzylurea;hydrazine
CID 68793593
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
N'-benzyloxamide
CID 561416
N'-benzylbutanediamide
CID 4682951
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzylacetamide;ethanamine
CID 22257034

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid (CID 155490415) is 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid is NC(=O)CNC(=O)N(CC(=O)O)C(=O)NCc1ccccc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid?
The InChIKey is WRBKJFOIAJKJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5/c14-10(18)7-16-13(22)17(8-11(19)20)12(21)15-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,14,18)(H,15,21)(H,16,22)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid has a molecular weight of 308.29 g/mol, XLogP of -0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 155490415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).