2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid

C19H28N2O3 — CID 167871394

IUPAC2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
SMILESO=C(O)CC1CCC2(CC1)CCN(Cc1cc(C3CC3)on1)CC2
InChIInChI=1S/C19H28N2O3/c22-18(23)11-14-3-5-19(6-4-14)7-9-21(10-8-19)13-16-12-17(24-20-16)15-1-2-15/h12,14-15H,1-11,13H2,(H,22,23)
InChIKeyJJFGONSRKXGNLR-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.80
Rot. Bonds5

About 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid

2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid (PubChem CID 167871394) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
PubChem CID167871394
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
SMILESO=C(O)CC1CCC2(CC1)CCN(Cc1cc(C3CC3)on1)CC2
InChIInChI=1S/C19H28N2O3/c22-18(23)11-14-3-5-19(6-4-14)7-9-21(10-8-19)13-16-12-17(24-20-16)15-1-2-15/h12,14-15H,1-11,13H2,(H,22,23)
InChIKeyJJFGONSRKXGNLR-UHFFFAOYSA-N
XLogP3.80
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid?
The IUPAC name of 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid (CID 167871394) is 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid.
What is the SMILES notation for 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid?
The canonical SMILES for 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid is O=C(O)CC1CCC2(CC1)CCN(Cc1cc(C3CC3)on1)CC2.
What is the InChIKey of 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid?
The InChIKey is JJFGONSRKXGNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-18(23)11-14-3-5-19(6-4-14)7-9-21(10-8-19)13-16-12-17(24-20-16)15-1-2-15/h12,14-15H,1-11,13H2,(H,22,23).
What are the key properties of 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid?
2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid has a molecular weight of 332.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid is sourced from PubChem (CID 167871394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).