2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid

C11H12ClN3O4 — CID 5003130

IUPAC2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3O4/c12-7-2-1-3-8(4-7)15-11(19)14-5-9(16)13-6-10(17)18/h1-4H,5-6H2,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyQCUGPQPZTVDPRF-UHFFFAOYSA-N
MW285.69 g/mol
LogP0.66
Rot. Bonds5

About 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid

2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid (PubChem CID 5003130) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
PubChem CID5003130
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC Name2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3O4/c12-7-2-1-3-8(4-7)15-11(19)14-5-9(16)13-6-10(17)18/h1-4H,5-6H2,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyQCUGPQPZTVDPRF-UHFFFAOYSA-N
XLogP0.66
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]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

1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
CID 4789489
2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide
CID 119053055
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 61471205
2-[[2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 107576471
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
2-[(3-chlorophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110370543
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea
CID 110601749
6-[(3-chlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447317
2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136863892
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid (CID 5003130) is 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is QCUGPQPZTVDPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c12-7-2-1-3-8(4-7)15-11(19)14-5-9(16)13-6-10(17)18/h1-4H,5-6H2,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 285.69 g/mol, XLogP of 0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 5003130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).