3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid

C14H22N2O5 — CID 114946205

IUPAC3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C)C2OCCC2C1(N)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H22N2O5/c1-12(2)9-8(3-5-21-9)14(12,15)10(17)16-13(11(18)19)4-6-20-7-13/h8-9H,3-7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLYNZQGARACVVLL-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.51
Rot. Bonds3

About 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid

3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 114946205) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID114946205
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C)C2OCCC2C1(N)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H22N2O5/c1-12(2)9-8(3-5-21-9)14(12,15)10(17)16-13(11(18)19)4-6-20-7-13/h8-9H,3-7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLYNZQGARACVVLL-UHFFFAOYSA-N
XLogP-0.51
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946373
6-amino-7,7-dimethyl-N-(1-methylcyclohexyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945890
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 82768356
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084
3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66262638
(2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 104985262
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114946454
6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946905
6-amino-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid (CID 114946205) is 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid is CC1(C)C2OCCC2C1(N)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is LYNZQGARACVVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-12(2)9-8(3-5-21-9)14(12,15)10(17)16-13(11(18)19)4-6-20-7-13/h8-9H,3-7,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114946205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).