4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid

C14H26N2O3 — CID 64711245

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)N1CCOC2CCCC21)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(9-14(2,15-3)13(17)18)16-7-8-19-12-6-4-5-11(12)16/h10-12,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyLMOQNMJIAHAHSZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.08
Rot. Bonds5

About 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64711245) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64711245
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)N1CCOC2CCCC21)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(9-14(2,15-3)13(17)18)16-7-8-19-12-6-4-5-11(12)16/h10-12,15H,4-9H2,1-3H3,(H,17,18)
InChIKeyLMOQNMJIAHAHSZ-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 64711245) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CC(C)N1CCOC2CCCC21)C(=O)O.
What is the InChIKey of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is LMOQNMJIAHAHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(9-14(2,15-3)13(17)18)16-7-8-19-12-6-4-5-11(12)16/h10-12,15H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64711245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).