2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid

C15H19NO5 — CID 82275245

IUPAC2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1c2ccccc2OCC1CC(=O)O
InChIInChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-10(8-13(17)18)9-20-12-7-5-4-6-11(12)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyRWEXVSSPPAITRB-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.66
Rot. Bonds2

About 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid

2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid (PubChem CID 82275245) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
PubChem CID82275245
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1c2ccccc2OCC1CC(=O)O
InChIInChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-10(8-13(17)18)9-20-12-7-5-4-6-11(12)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyRWEXVSSPPAITRB-UHFFFAOYSA-N
XLogP2.66
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid (CID 82275245) is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid is CC(C)(C)OC(=O)N1c2ccccc2OCC1CC(=O)O.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid?
The InChIKey is RWEXVSSPPAITRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-10(8-13(17)18)9-20-12-7-5-4-6-11(12)16/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid?
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid is sourced from PubChem (CID 82275245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).