(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide

C8H14N2O — CID 68777475

IUPAC(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1N
InChIInChI=1S/C8H14N2O/c9-7-5-2-1-4(3-5)6(7)8(10)11/h4-7H,1-3,9H2,(H2,10,11)/t4-,5+,6-,7+/m0/s1
InChIKeyVDCVNVOMIJJJJO-BNHYGAARSA-N
MW154.21 g/mol
LogP-0.15
Rot. Bonds1

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

(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 68777475) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
PubChem CID68777475
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1N
InChIInChI=1S/C8H14N2O/c9-7-5-2-1-4(3-5)6(7)8(10)11/h4-7H,1-3,9H2,(H2,10,11)/t4-,5+,6-,7+/m0/s1
InChIKeyVDCVNVOMIJJJJO-BNHYGAARSA-N
XLogP-0.15
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Aminobicyclo[2.2.1]heptane-2-carboxamide hydrochloride
CID 53613691
(+/-)-(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 13724496
3-Aminobicyclo[2.2.1]heptane-2-carboxamide
CID 13724494
(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154720154
(1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154720397
3-amino-N-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane-2-carboxamide
CID 81503976
2-Aminobicyclo[2.2.1]heptane-2-carboxamide
CID 19752093
(1S,2R,3S,4R)-3-Aminobicyclo[2.2.1]heptane-2-carboxamide
CID 40427900
3-(Methylamino)bicyclo[2.2.1]heptane-2-carboxamide
CID 58168932
1-(3-Amino-2-bicyclo[2.2.1]heptanyl)ethanone
CID 58339472
[(1S,4R)-3-acetyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 58339546
1-[(1R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]ethanone
CID 58339547

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide (CID 68777475) is (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide is NC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1N.
What is the InChIKey of (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VDCVNVOMIJJJJO-BNHYGAARSA-N. The full InChI is InChI=1S/C8H14N2O/c9-7-5-2-1-4(3-5)6(7)8(10)11/h4-7H,1-3,9H2,(H2,10,11)/t4-,5+,6-,7+/m0/s1.
What are the key properties of (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 154.21 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 68777475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).