2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid

C8H8N2O3 — CID 142117161

IUPAC2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid
SMILESNC1Nc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C8H8N2O3/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3,8,10H,9H2,(H,11,12)
InChIKeyMXNFRZNBLGWYKH-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.43
Rot. Bonds1

About 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid

2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid (PubChem CID 142117161) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid
PubChem CID142117161
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid
SMILESNC1Nc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C8H8N2O3/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3,8,10H,9H2,(H,11,12)
InChIKeyMXNFRZNBLGWYKH-UHFFFAOYSA-N
XLogP0.43
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic 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

5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine
CID 164602655
3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 84628313
3-cyclohexyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 116837602
2-sulfanyl-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid
CID 163469810
2-methyl-1,3-benzodioxole-5-carboxylic acid
CID 15546141
8-carbamoylbenzo[c][1,2,5,6]benzotetraoxocine-2-carboxylic acid
CID 163538336
2-fluoro-1,3-benzodioxole-5-carboxylic acid
CID 141403033
2-amino-2,3-dihydro-1,3-benzoxazol-6-ol
CID 135257276
3-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 116837587
2-[4-(5-carboxy-2,3-dihydro-1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1H-benzimidazole-5-carboxylic acid
CID 141227193
10H-phenoxazine-1,8-dicarboxylic acid
CID 125480198
1-[2-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
CID 84627787

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid (CID 142117161) is 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid is NC1Nc2cc(C(=O)O)ccc2O1.
What is the InChIKey of 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is MXNFRZNBLGWYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3,8,10H,9H2,(H,11,12).
What are the key properties of 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid?
2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 142117161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).