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

C12H15N3O4 — CID 115179746

IUPAC2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCN(C(=O)C(N)CO)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H15N3O4/c1-15(12(18)8(13)5-16)7-2-3-10-9(4-7)14-11(17)6-19-10/h2-4,8,16H,5-6,13H2,1H3,(H,14,17)
InChIKeyPOKNHFJMBASYCE-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.70
Rot. Bonds3

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

2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 115179746) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID115179746
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCN(C(=O)C(N)CO)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H15N3O4/c1-15(12(18)8(13)5-16)7-2-3-10-9(4-7)14-11(17)6-19-10/h2-4,8,16H,5-6,13H2,1H3,(H,14,17)
InChIKeyPOKNHFJMBASYCE-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-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 115152304
N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 118138222
3-amino-2-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 115180423
6-[(1S)-1-amino-2-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 66514510
6-[2-(hydroxymethyl)butyl-methylamino]-4H-1,4-benzoxazin-3-one
CID 115250676
6-[4-hydroxybutyl(methyl)amino]-4H-1,4-benzoxazin-3-one
CID 115217508
6-(1-amino-3,3-dimethylbutyl)-4H-1,4-benzoxazin-3-one
CID 43165330
methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 116964414
6-[2-chloroethyl(methyl)amino]-4H-1,4-benzoxazin-3-one
CID 115214737
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 78843937
6-[2-(hydroxymethyl)butanoyl]-4H-1,4-benzoxazin-3-one
CID 116923075

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 115179746) is 2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CN(C(=O)C(N)CO)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is POKNHFJMBASYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-15(12(18)8(13)5-16)7-2-3-10-9(4-7)14-11(17)6-19-10/h2-4,8,16H,5-6,13H2,1H3,(H,14,17).
What are the key properties of 2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-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-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 115179746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).