3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid

C15H24N2O4 — CID 166279227

IUPAC3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid
SMILESCC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CC(O)(C(=O)O)C1)C2
InChIInChI=1S/C15H24N2O4/c1-13(2)10-4-5-14(13,3)7-16(6-10)12(20)17-8-15(21,9-17)11(18)19/h10,21H,4-9H2,1-3H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyHFLSSOWQZCNHAI-YGRLFVJLSA-N
MW296.37 g/mol
LogP1.00
Rot. Bonds1

About 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid

3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid (PubChem CID 166279227) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid
PubChem CID166279227
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid
SMILESCC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CC(O)(C(=O)O)C1)C2
InChIInChI=1S/C15H24N2O4/c1-13(2)10-4-5-14(13,3)7-16(6-10)12(20)17-8-15(21,9-17)11(18)19/h10,21H,4-9H2,1-3H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyHFLSSOWQZCNHAI-YGRLFVJLSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid?
The IUPAC name of 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid (CID 166279227) is 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid is CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CC(O)(C(=O)O)C1)C2.
What is the InChIKey of 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid?
The InChIKey is HFLSSOWQZCNHAI-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-13(2)10-4-5-14(13,3)7-16(6-10)12(20)17-8-15(21,9-17)11(18)19/h10,21H,4-9H2,1-3H3,(H,18,19)/t10-,14+/m1/s1.
What are the key properties of 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid?
3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 166279227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).