(2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one

C14H26N2O3 — CID 99820963

IUPAC(2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one
SMILESCC[C@@H](C)[C@@H](N)C(=O)N1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c1-3-11(2)12(15)13(17)16-6-9-19-14(10-16)4-7-18-8-5-14/h11-12H,3-10,15H2,1-2H3/t11-,12-/m1/s1
InChIKeyHJXIAZWYFGXWTQ-VXGBXAGGSA-N
MW270.37 g/mol
LogP0.77
Rot. Bonds3

About (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one

(2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one (PubChem CID 99820963) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one
PubChem CID99820963
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one
SMILESCC[C@@H](C)[C@@H](N)C(=O)N1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c1-3-11(2)12(15)13(17)16-6-9-19-14(10-16)4-7-18-8-5-14/h11-12H,3-10,15H2,1-2H3/t11-,12-/m1/s1
InChIKeyHJXIAZWYFGXWTQ-VXGBXAGGSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one?
The IUPAC name of (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one (CID 99820963) is (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one.
What is the SMILES notation for (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one?
The canonical SMILES for (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one is CC[C@@H](C)[C@@H](N)C(=O)N1CCOC2(CCOCC2)C1.
What is the InChIKey of (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one?
The InChIKey is HJXIAZWYFGXWTQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-11(2)12(15)13(17)16-6-9-19-14(10-16)4-7-18-8-5-14/h11-12H,3-10,15H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one?
(2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one is sourced from PubChem (CID 99820963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).