6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

C10H12N2O3 — CID 84621046

IUPAC6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SMILESCN1CC(C(=O)O)Oc2ccc(N)cc21
InChIInChI=1S/C10H12N2O3/c1-12-5-9(10(13)14)15-8-3-2-6(11)4-7(8)12/h2-4,9H,5,11H2,1H3,(H,13,14)
InChIKeyVNGVEKJSLLTOJX-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.55
Rot. Bonds1

About 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (PubChem CID 84621046) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
PubChem CID84621046
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SMILESCN1CC(C(=O)O)Oc2ccc(N)cc21
InChIInChI=1S/C10H12N2O3/c1-12-5-9(10(13)14)15-8-3-2-6(11)4-7(8)12/h2-4,9H,5,11H2,1H3,(H,13,14)
InChIKeyVNGVEKJSLLTOJX-UHFFFAOYSA-N
XLogP0.55
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 173096627
7-cyano-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 84622763
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
CID 82025188
8-cyano-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 84622767
(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 30080218
2,3-dihydro-1,4-benzoxazine-2,4-dicarboxylic acid
CID 91423295
N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 163392818
4-(1-methylpyrrolidine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 60921208
2-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide
CID 126646059
4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 59367840
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245
4-(dimethylsulfamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 43210831

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The IUPAC name of 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (CID 84621046) is 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
What is the SMILES notation for 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The canonical SMILES for 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid is CN1CC(C(=O)O)Oc2ccc(N)cc21.
What is the InChIKey of 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The InChIKey is VNGVEKJSLLTOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-5-9(10(13)14)15-8-3-2-6(11)4-7(8)12/h2-4,9H,5,11H2,1H3,(H,13,14).
What are the key properties of 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid is sourced from PubChem (CID 84621046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).