6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid

C15H18N2O4 — CID 119185912

IUPAC6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1(C)C(NC(=O)c2cccc(C(=O)O)n2)C2CCOC21
InChIInChI=1S/C15H18N2O4/c1-15(2)11(8-6-7-21-12(8)15)17-13(18)9-4-3-5-10(16-9)14(19)20/h3-5,8,11-12H,6-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBLXXDPBPHFVZMP-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.32
Rot. Bonds3

About 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid

6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119185912) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119185912
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1(C)C(NC(=O)c2cccc(C(=O)O)n2)C2CCOC21
InChIInChI=1S/C15H18N2O4/c1-15(2)11(8-6-7-21-12(8)15)17-13(18)9-4-3-5-10(16-9)14(19)20/h3-5,8,11-12H,6-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBLXXDPBPHFVZMP-UHFFFAOYSA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-[[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]benzoic acid
CID 124682594
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 86768581
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95775951
4-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]benzoic acid
CID 125132974
6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid
CID 122054004
6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82737181
2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide
CID 119945623
4-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)carbamoyl]benzoic acid
CID 119186592
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea
CID 97216512
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590
4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]benzoic acid
CID 64862917
N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-nitro-1H-indole-2-carboxamide
CID 100904472

Frequently Asked Questions

What is the IUPAC name of 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid (CID 119185912) is 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid is CC1(C)C(NC(=O)c2cccc(C(=O)O)n2)C2CCOC21.
What is the InChIKey of 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is BLXXDPBPHFVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2)11(8-6-7-21-12(8)15)17-13(18)9-4-3-5-10(16-9)14(19)20/h3-5,8,11-12H,6-7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid?
6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119185912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).