6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid

C23H28N2O3 — CID 146475853

IUPAC6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(CN3CCC4(CC3)CC(NC3CC3)CO4)ccc2c1
InChIInChI=1S/C23H28N2O3/c26-22(27)19-4-3-17-11-16(1-2-18(17)12-19)14-25-9-7-23(8-10-25)13-21(15-28-23)24-20-5-6-20/h1-4,11-12,20-21,24H,5-10,13-15H2,(H,26,27)
InChIKeyOLSFNDFJQABGSP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.41
Rot. Bonds5

About 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid

6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid (PubChem CID 146475853) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
PubChem CID146475853
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(CN3CCC4(CC3)CC(NC3CC3)CO4)ccc2c1
InChIInChI=1S/C23H28N2O3/c26-22(27)19-4-3-17-11-16(1-2-18(17)12-19)14-25-9-7-23(8-10-25)13-21(15-28-23)24-20-5-6-20/h1-4,11-12,20-21,24H,5-10,13-15H2,(H,26,27)
InChIKeyOLSFNDFJQABGSP-UHFFFAOYSA-N
XLogP3.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid (CID 146475853) is 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(CN3CCC4(CC3)CC(NC3CC3)CO4)ccc2c1.
What is the InChIKey of 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid?
The InChIKey is OLSFNDFJQABGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(27)19-4-3-17-11-16(1-2-18(17)12-19)14-25-9-7-23(8-10-25)13-21(15-28-23)24-20-5-6-20/h1-4,11-12,20-21,24H,5-10,13-15H2,(H,26,27).
What are the key properties of 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid?
6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid has a molecular weight of 380.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 146475853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).