2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid

C14H20N2O4 — CID 135099403

IUPAC2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid
SMILESCO[C@@H]1CCC[C@]12CCCN(c1nc(C(=O)O)co1)C2
InChIInChI=1S/C14H20N2O4/c1-19-11-4-2-5-14(11)6-3-7-16(9-14)13-15-10(8-20-13)12(17)18/h8,11H,2-7,9H2,1H3,(H,17,18)/t11-,14-/m1/s1
InChIKeyXKESOOAYGIIXAA-BXUZGUMPSA-N
MW280.32 g/mol
LogP2.16
Rot. Bonds3

About 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid

2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 135099403) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID135099403
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid
SMILESCO[C@@H]1CCC[C@]12CCCN(c1nc(C(=O)O)co1)C2
InChIInChI=1S/C14H20N2O4/c1-19-11-4-2-5-14(11)6-3-7-16(9-14)13-15-10(8-20-13)12(17)18/h8,11H,2-7,9H2,1H3,(H,17,18)/t11-,14-/m1/s1
InChIKeyXKESOOAYGIIXAA-BXUZGUMPSA-N
XLogP2.16
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid (CID 135099403) is 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid is CO[C@@H]1CCC[C@]12CCCN(c1nc(C(=O)O)co1)C2.
What is the InChIKey of 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is XKESOOAYGIIXAA-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-11-4-2-5-14(11)6-3-7-16(9-14)13-15-10(8-20-13)12(17)18/h8,11H,2-7,9H2,1H3,(H,17,18)/t11-,14-/m1/s1.
What are the key properties of 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid?
2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 135099403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).