2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid

C16H19NO3 — CID 70622765

IUPAC2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid
SMILESCc1c2n(c3ccccc13)CCOC2(C)C(C)C(=O)O
InChIInChI=1S/C16H19NO3/c1-10-12-6-4-5-7-13(12)17-8-9-20-16(3,14(10)17)11(2)15(18)19/h4-7,11H,8-9H2,1-3H3,(H,18,19)
InChIKeyAVMAUFRANOZZCH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.92
Rot. Bonds2

About 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid

2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid (PubChem CID 70622765) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid
PubChem CID70622765
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid
SMILESCc1c2n(c3ccccc13)CCOC2(C)C(C)C(=O)O
InChIInChI=1S/C16H19NO3/c1-10-12-6-4-5-7-13(12)17-8-9-20-16(3,14(10)17)11(2)15(18)19/h4-7,11H,8-9H2,1-3H3,(H,18,19)
InChIKeyAVMAUFRANOZZCH-UHFFFAOYSA-N
XLogP2.92
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid?
The IUPAC name of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid (CID 70622765) is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid.
What is the SMILES notation for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid?
The canonical SMILES for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid is Cc1c2n(c3ccccc13)CCOC2(C)C(C)C(=O)O.
What is the InChIKey of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid?
The InChIKey is AVMAUFRANOZZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-12-6-4-5-7-13(12)17-8-9-20-16(3,14(10)17)11(2)15(18)19/h4-7,11H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid?
2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propanoic acid is sourced from PubChem (CID 70622765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).