4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

C19H29NO4 — CID 167814221

IUPAC4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESO=C(CC1CCCC2(CCC2)O1)NC12CCC(C(=O)O)(CC1)CC2
InChIInChI=1S/C19H29NO4/c21-15(13-14-3-1-4-19(24-14)5-2-6-19)20-18-10-7-17(8-11-18,9-12-18)16(22)23/h14H,1-13H2,(H,20,21)(H,22,23)
InChIKeySSOKBJPMOGWHAE-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.16
Rot. Bonds4

About 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid (PubChem CID 167814221) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
PubChem CID167814221
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESO=C(CC1CCCC2(CCC2)O1)NC12CCC(C(=O)O)(CC1)CC2
InChIInChI=1S/C19H29NO4/c21-15(13-14-3-1-4-19(24-14)5-2-6-19)20-18-10-7-17(8-11-18,9-12-18)16(22)23/h14H,1-13H2,(H,20,21)(H,22,23)
InChIKeySSOKBJPMOGWHAE-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid with MolForge

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Related Compounds

4-[[2-(5-cyclopropyloxolan-2-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166289999
4-[(2-cyclohept-4-en-1-ylacetyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166289997
4-[[2-(3-phenylcyclobutyl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166290016
1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158596
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide
CID 139022303
4-[[(4Z)-cyclooct-4-ene-1-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166251829
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 102896860
(3S)-3-[[2-[(2S)-oxan-2-yl]acetyl]amino]thiolane-3-carboxylic acid
CID 124517285
4-(prop-2-enoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylic acid
CID 135391083
bicyclo[3.2.2]nonane-1-carboxylic acid
CID 12757493

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid?
The IUPAC name of 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid (CID 167814221) is 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid is O=C(CC1CCCC2(CCC2)O1)NC12CCC(C(=O)O)(CC1)CC2.
What is the InChIKey of 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid?
The InChIKey is SSOKBJPMOGWHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c21-15(13-14-3-1-4-19(24-14)5-2-6-19)20-18-10-7-17(8-11-18,9-12-18)16(22)23/h14H,1-13H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid?
4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid has a molecular weight of 335.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-oxaspiro[3.5]nonan-6-yl)acetyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid is sourced from PubChem (CID 167814221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).