tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate

C14H19N3O4 — CID 54188797

IUPACtert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate
SMILESCC(C)(C)OC(=O)C[C@H](N)c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H19N3O4/c1-14(2,3)21-12(19)5-9(15)8-4-10-13(16-6-8)17-11(18)7-20-10/h4,6,9H,5,7,15H2,1-3H3,(H,16,17,18)/t9-/m0/s1
InChIKeyPHAFNHZXUBMGEV-VIFPVBQESA-N
MW293.32 g/mol
LogP1.14
Rot. Bonds3

About tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate

tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate (PubChem CID 54188797) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate
PubChem CID54188797
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nametert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate
SMILESCC(C)(C)OC(=O)C[C@H](N)c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H19N3O4/c1-14(2,3)21-12(19)5-9(15)8-4-10-13(16-6-8)17-11(18)7-20-10/h4,6,9H,5,7,15H2,1-3H3,(H,16,17,18)/t9-/m0/s1
InChIKeyPHAFNHZXUBMGEV-VIFPVBQESA-N
XLogP1.14
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate?
The IUPAC name of tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate (CID 54188797) is tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate.
What is the SMILES notation for tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate?
The canonical SMILES for tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate is CC(C)(C)OC(=O)C[C@H](N)c1cnc2c(c1)OCC(=O)N2.
What is the InChIKey of tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate?
The InChIKey is PHAFNHZXUBMGEV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2,3)21-12(19)5-9(15)8-4-10-13(16-6-8)17-11(18)7-20-10/h4,6,9H,5,7,15H2,1-3H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate?
tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate has a molecular weight of 293.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-amino-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)propanoate is sourced from PubChem (CID 54188797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).