2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid

C10H10ClN3O4 — CID 172764619

IUPAC2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O4/c11-7-3-1-6(2-4-7)9(17)13-14-10(18)12-5-8(15)16/h1-4H,5H2,(H,13,17)(H,15,16)(H2,12,14,18)
InChIKeyMDKLZEJMYSUDJP-UHFFFAOYSA-N
MW271.66 g/mol
LogP0.37
Rot. Bonds3

About 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid

2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid (PubChem CID 172764619) has the molecular formula C10H10ClN3O4 and a molecular weight of 271.66 g/mol. Its IUPAC name is 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid
PubChem CID172764619
Molecular FormulaC10H10ClN3O4
Molecular Weight271.66 g/mol
Exact Mass271.04
IUPAC Name2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O4/c11-7-3-1-6(2-4-7)9(17)13-14-10(18)12-5-8(15)16/h1-4H,5H2,(H,13,17)(H,15,16)(H2,12,14,18)
InChIKeyMDKLZEJMYSUDJP-UHFFFAOYSA-N
XLogP0.37
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(4-chlorobenzoyl)amino]carbamoylamino]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

1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea
CID 47133922
2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
CID 66812377
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea
CID 71769328
2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid?
The IUPAC name of 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid (CID 172764619) is 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid.
What is the SMILES notation for 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid?
The canonical SMILES for 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid is O=C(O)CNC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid?
The InChIKey is MDKLZEJMYSUDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4/c11-7-3-1-6(2-4-7)9(17)13-14-10(18)12-5-8(15)16/h1-4H,5H2,(H,13,17)(H,15,16)(H2,12,14,18).
What are the key properties of 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid?
2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid has a molecular weight of 271.66 g/mol, XLogP of 0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid is sourced from PubChem (CID 172764619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).