2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid

C11H14N2O4 — CID 53397506

IUPAC2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid
SMILESCc1ccc(CNC(=O)NOCC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c1-8-2-4-9(5-3-8)6-12-11(16)13-17-7-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyNRKZTJRMXVTJET-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.81
Rot. Bonds5

About 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid

2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid (PubChem CID 53397506) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid
PubChem CID53397506
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid
SMILESCc1ccc(CNC(=O)NOCC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c1-8-2-4-9(5-3-8)6-12-11(16)13-17-7-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyNRKZTJRMXVTJET-UHFFFAOYSA-N
XLogP0.81
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic 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-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
CID 61329062
3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189759
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
3-methyl-3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 64702591
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416
1-benzyl-3-(2-methoxyethoxy)urea
CID 110642709
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
1-[(4-methylphenyl)methyl]-3-(2-oxoethyl)urea
CID 117235569
tert-butyl 2-[(4-chlorophenyl)methylcarbamoylamino]oxyacetate
CID 86658800
1-benzyl-3-(2-methylpropoxy)urea
CID 103829351
(4-methylphenyl) N-benzylcarbamate
CID 14292552

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid?
The IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid (CID 53397506) is 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid?
The canonical SMILES for 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid is Cc1ccc(CNC(=O)NOCC(=O)O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid?
The InChIKey is NRKZTJRMXVTJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8-2-4-9(5-3-8)6-12-11(16)13-17-7-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid?
2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid is sourced from PubChem (CID 53397506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).