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

C13H16N2O3 — CID 82339517

IUPAC6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2ccc(C(=O)CN)cc2NC1=O
InChIInChI=1S/C13H16N2O3/c1-7(2)12-13(17)15-9-5-8(10(16)6-14)3-4-11(9)18-12/h3-5,7,12H,6,14H2,1-2H3,(H,15,17)
InChIKeyGNPPTOSVZRTIMR-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.18
Rot. Bonds3

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

6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one (PubChem CID 82339517) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
PubChem CID82339517
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2ccc(C(=O)CN)cc2NC1=O
InChIInChI=1S/C13H16N2O3/c1-7(2)12-13(17)15-9-5-8(10(16)6-14)3-4-11(9)18-12/h3-5,7,12H,6,14H2,1-2H3,(H,15,17)
InChIKeyGNPPTOSVZRTIMR-UHFFFAOYSA-N
XLogP1.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-aminopropanoyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339519
6-(2-aminopropanoyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339518
6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82339477
6-(aminomethyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82330827
6-(2-aminoethyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339533
6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581
3-[(3-oxo-2-propan-2-yl-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoic acid
CID 82355032
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
N-ethyl-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-6-sulfonamide
CID 82355180
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

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one (CID 82339517) is 6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one is CC(C)C1Oc2ccc(C(=O)CN)cc2NC1=O.
What is the InChIKey of 6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The InChIKey is GNPPTOSVZRTIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7(2)12-13(17)15-9-5-8(10(16)6-14)3-4-11(9)18-12/h3-5,7,12H,6,14H2,1-2H3,(H,15,17).
What are the key properties of 6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one has a molecular weight of 248.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoacetyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82339517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).