propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate

C15H20N2O4 — CID 82345948

IUPACpropan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
SMILESCC(C)OC(=O)C(C)N1C(=O)C(C)Oc2cccc(N)c21
InChIInChI=1S/C15H20N2O4/c1-8(2)20-15(19)9(3)17-13-11(16)6-5-7-12(13)21-10(4)14(17)18/h5-10H,16H2,1-4H3
InChIKeyNOWBMKSINXAQIW-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.72
Rot. Bonds3

About propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate

propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate (PubChem CID 82345948) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
PubChem CID82345948
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namepropan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
SMILESCC(C)OC(=O)C(C)N1C(=O)C(C)Oc2cccc(N)c21
InChIInChI=1S/C15H20N2O4/c1-8(2)20-15(19)9(3)17-13-11(16)6-5-7-12(13)21-10(4)14(17)18/h5-10H,16H2,1-4H3
InChIKeyNOWBMKSINXAQIW-UHFFFAOYSA-N
XLogP1.72
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 82345940
2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropanoic acid
CID 82345996
propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 82346175
2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 82345925
5-amino-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346236
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 3381852
8-amino-2-methyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82018881
5-amino-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82346193
propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate
CID 110831753
5-[(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxylic acid
CID 82345995
propan-2-yl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345297
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate?
The IUPAC name of propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate (CID 82345948) is propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate.
What is the SMILES notation for propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate?
The canonical SMILES for propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate is CC(C)OC(=O)C(C)N1C(=O)C(C)Oc2cccc(N)c21.
What is the InChIKey of propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate?
The InChIKey is NOWBMKSINXAQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-8(2)20-15(19)9(3)17-13-11(16)6-5-7-12(13)21-10(4)14(17)18/h5-10H,16H2,1-4H3.
What are the key properties of propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate?
propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate has a molecular weight of 292.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate is sourced from PubChem (CID 82345948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).