6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one

C11H12N2O3 — CID 82339477

IUPAC6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)CN)cc2NC1=O
InChIInChI=1S/C11H12N2O3/c1-6-11(15)13-8-4-7(9(14)5-12)2-3-10(8)16-6/h2-4,6H,5,12H2,1H3,(H,13,15)
InChIKeyLRFBRXSJQNCDTL-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.55
Rot. Bonds2

About 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one

6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 82339477) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID82339477
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)CN)cc2NC1=O
InChIInChI=1S/C11H12N2O3/c1-6-11(15)13-8-4-7(9(14)5-12)2-3-10(8)16-6/h2-4,6H,5,12H2,1H3,(H,13,15)
InChIKeyLRFBRXSJQNCDTL-UHFFFAOYSA-N
XLogP0.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-butanoyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162308
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
CID 82496236
2-methyl-6-(3,3,3-trifluoropropanoyl)-4H-1,4-benzoxazin-3-one
CID 43340891
4-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-oxobutanoate
CID 78464300
6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339517
6-[2-(ethylamino)acetyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82498658
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
methyl 5-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxopentanoate
CID 82347021
6-(2,2-dimethylcyclopropanecarbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 107000710
2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide
CID 82492025
2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43340904

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one (CID 82339477) is 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(C(=O)CN)cc2NC1=O.
What is the InChIKey of 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is LRFBRXSJQNCDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-11(15)13-8-4-7(9(14)5-12)2-3-10(8)16-6/h2-4,6H,5,12H2,1H3,(H,13,15).
What are the key properties of 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one?
6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 220.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82339477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).