2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid

C10H11ClN2O4 — CID 63914922

IUPAC2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid
SMILESCc1ccc(NC(=O)NOCC(=O)O)cc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-6-2-3-7(4-8(6)11)12-10(16)13-17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyGHAOGFSHHSPYOG-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.79
Rot. Bonds4

About 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid

2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid (PubChem CID 63914922) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid
PubChem CID63914922
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid
SMILESCc1ccc(NC(=O)NOCC(=O)O)cc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-6-2-3-7(4-8(6)11)12-10(16)13-17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyGHAOGFSHHSPYOG-UHFFFAOYSA-N
XLogP1.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethyl-4-methylphenyl)carbamoylamino]oxyacetic acid
CID 114250438
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
7-[(3-chloro-4-methylphenyl)carbamoylamino]heptanoic acid
CID 43515072
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea
CID 55910837
1-(2-amino-2-sulfanylideneethyl)-3-(3-chloro-4-methylphenyl)urea
CID 61127307
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid?
The IUPAC name of 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid (CID 63914922) is 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid.
What is the SMILES notation for 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid?
The canonical SMILES for 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid is Cc1ccc(NC(=O)NOCC(=O)O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid?
The InChIKey is GHAOGFSHHSPYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-6-2-3-7(4-8(6)11)12-10(16)13-17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid?
2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid has a molecular weight of 258.66 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid is sourced from PubChem (CID 63914922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).