(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C9H16N2O — CID 154720154

IUPAC(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1N
InChIInChI=1S/C9H16N2O/c1-11-9(12)7-5-2-3-6(4-5)8(7)10/h5-8H,2-4,10H2,1H3,(H,11,12)/t5-,6+,7-,8-/m1/s1
InChIKeyIHAAZFZWJNDAPE-ULAWRXDQSA-N
MW168.24 g/mol
LogP0.11
Rot. Bonds1

About (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 154720154) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID154720154
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1N
InChIInChI=1S/C9H16N2O/c1-11-9(12)7-5-2-3-6(4-5)8(7)10/h5-8H,2-4,10H2,1H3,(H,11,12)/t5-,6+,7-,8-/m1/s1
InChIKeyIHAAZFZWJNDAPE-ULAWRXDQSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-ethyl-3-bicyclo[2.2.1]heptanyl)acetamide
CID 4896559
3-Aminobicyclo[2.2.1]heptane-2-carboxamide hydrochloride
CID 53613691
N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2817639
N-butyl-3-nitrobicyclo[2.2.1]heptane-2-carboxamide
CID 13801584
(+/-)-(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 13724496
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114450
3-[2-[(2-Cyclohexylacetyl)amino]propanoylamino]bicyclo[2.2.1]heptane-2-carboxamide
CID 72128880
3-Aminobicyclo[2.2.1]heptane-2-carboxamide
CID 13724494
(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
(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163396185
(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396186

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 154720154) is (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1N.
What is the InChIKey of (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IHAAZFZWJNDAPE-ULAWRXDQSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-9(12)7-5-2-3-6(4-5)8(7)10/h5-8H,2-4,10H2,1H3,(H,11,12)/t5-,6+,7-,8-/m1/s1.
What are the key properties of (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 154720154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).