3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

C11H20N2O2 — CID 100643144

IUPAC3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESCC1(C)[C@H](NC(=O)CCN)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C11H20N2O2/c1-11(2)9(13-8(14)3-5-12)7-4-6-15-10(7)11/h7,9-10H,3-6,12H2,1-2H3,(H,13,14)/t7-,9+,10-/m0/s1
InChIKeyZZFMMERFQWSHFP-SFGNSQDASA-N
MW212.29 g/mol
LogP0.26
Rot. Bonds3

About 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (PubChem CID 100643144) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
PubChem CID100643144
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESCC1(C)[C@H](NC(=O)CCN)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C11H20N2O2/c1-11(2)9(13-8(14)3-5-12)7-4-6-15-10(7)11/h7,9-10H,3-6,12H2,1-2H3,(H,13,14)/t7-,9+,10-/m0/s1
InChIKeyZZFMMERFQWSHFP-SFGNSQDASA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide with MolForge

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Related Compounds

3-(2-aminophenyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
CID 120611037
4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 119137976
2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
CID 119329831
(2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide
CID 120794144
1-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125148199
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N-propylacetamide
CID 64865245
2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)benzamide
CID 119945623
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 100907527
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939516
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111459175
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97220226

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The IUPAC name of 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (CID 100643144) is 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.
What is the SMILES notation for 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The canonical SMILES for 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is CC1(C)[C@H](NC(=O)CCN)[C@@H]2CCO[C@@H]21.
What is the InChIKey of 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The InChIKey is ZZFMMERFQWSHFP-SFGNSQDASA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2)9(13-8(14)3-5-12)7-4-6-15-10(7)11/h7,9-10H,3-6,12H2,1-2H3,(H,13,14)/t7-,9+,10-/m0/s1.
What are the key properties of 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is sourced from PubChem (CID 100643144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).