2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide

C12H15N3O4 — CID 115179617

IUPAC2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
SMILESCN1C(=O)COc2ccc(NC(=O)C(N)CO)cc21
InChIInChI=1S/C12H15N3O4/c1-15-9-4-7(14-12(18)8(13)5-16)2-3-10(9)19-6-11(15)17/h2-4,8,16H,5-6,13H2,1H3,(H,14,18)
InChIKeyWGANRCQPFMTDIK-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.70
Rot. Bonds3

About 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide

2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide (PubChem CID 115179617) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
PubChem CID115179617
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
SMILESCN1C(=O)COc2ccc(NC(=O)C(N)CO)cc21
InChIInChI=1S/C12H15N3O4/c1-15-9-4-7(14-12(18)8(13)5-16)2-3-10(9)19-6-11(15)17/h2-4,8,16H,5-6,13H2,1H3,(H,14,18)
InChIKeyWGANRCQPFMTDIK-UHFFFAOYSA-N
XLogP-0.70
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
CID 119322353
(2S)-2-amino-3,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781420
3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781434
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
6-(2,3-diaminopropylamino)-4-methyl-1,4-benzoxazin-3-one
CID 115119417
2-(2-aminoethylsulfanyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 84553125
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
6-[2-(hydroxymethyl)butylamino]-4-methyl-1,4-benzoxazin-3-one
CID 115250542
2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51971211
(2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 51583881

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide (CID 115179617) is 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide is CN1C(=O)COc2ccc(NC(=O)C(N)CO)cc21.
What is the InChIKey of 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is WGANRCQPFMTDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-15-9-4-7(14-12(18)8(13)5-16)2-3-10(9)19-6-11(15)17/h2-4,8,16H,5-6,13H2,1H3,(H,14,18).
What are the key properties of 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 265.27 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 115179617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).