2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid

C11H11N3O4 — CID 82498910

IUPAC2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid
SMILESCc1nc2cc(NC(=O)NCC(=O)O)ccc2o1
InChIInChI=1S/C11H11N3O4/c1-6-13-8-4-7(2-3-9(8)18-6)14-11(17)12-5-10(15)16/h2-4H,5H2,1H3,(H,15,16)(H2,12,14,17)
InChIKeyMHGPCXOZJGVRRE-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.34
Rot. Bonds3

About 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid

2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid (PubChem CID 82498910) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid
PubChem CID82498910
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid
SMILESCc1nc2cc(NC(=O)NCC(=O)O)ccc2o1
InChIInChI=1S/C11H11N3O4/c1-6-13-8-4-7(2-3-9(8)18-6)14-11(17)12-5-10(15)16/h2-4H,5H2,1H3,(H,15,16)(H2,12,14,17)
InChIKeyMHGPCXOZJGVRRE-UHFFFAOYSA-N
XLogP1.34
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methyl-1,3-benzoxazol-5-yl)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-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775538
3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115219748
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 893486
4-[(2-methyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115218475
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid (CID 82498910) is 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid is Cc1nc2cc(NC(=O)NCC(=O)O)ccc2o1.
What is the InChIKey of 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid?
The InChIKey is MHGPCXOZJGVRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-13-8-4-7(2-3-9(8)18-6)14-11(17)12-5-10(15)16/h2-4H,5H2,1H3,(H,15,16)(H2,12,14,17).
What are the key properties of 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid?
2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid has a molecular weight of 249.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 82498910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).