3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

C11H18F2N2O2 — CID 113266695

IUPAC3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H18F2N2O2/c12-10(13)7(16)4-15-11(17)8-5-1-2-6(3-5)9(8)14/h5-10,16H,1-4,14H2,(H,15,17)
InChIKeyQJQQEAKVJILGTM-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.10
Rot. Bonds4

About 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 113266695) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID113266695
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H18F2N2O2/c12-10(13)7(16)4-15-11(17)8-5-1-2-6(3-5)9(8)14/h5-10,16H,1-4,14H2,(H,15,17)
InChIKeyQJQQEAKVJILGTM-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163395342
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395343
3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167110752
3-[(2,2,2-Trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 175889028
3-amino-N-[4-(trifluoromethyl)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64376864
3-amino-N-[2-(trifluoromethyl)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64376865
3-amino-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64377035
3-amino-N-(3,3,3-trifluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64377686
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64378650
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378808
3-amino-N-[3-(trifluoromethyl)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64379376
2-[(3-Aminobicyclo[2.2.1]heptane-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258173

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 113266695) is 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCC(O)C(F)F.
What is the InChIKey of 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QJQQEAKVJILGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-10(13)7(16)4-15-11(17)8-5-1-2-6(3-5)9(8)14/h5-10,16H,1-4,14H2,(H,15,17).
What are the key properties of 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 248.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 113266695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).