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

C8H14N2O — CID 167111101

IUPAC(1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)C1C(N)[C@H]2CC[C@@H]1C2
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?/m1/s1
InChIKeyVDCVNVOMIJJJJO-OZRTXJSJSA-N
MW154.21 g/mol
LogP-0.15
Rot. Bonds1

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

(1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 167111101) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
PubChem CID167111101
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)C1C(N)[C@H]2CC[C@@H]1C2
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?/m1/s1
InChIKeyVDCVNVOMIJJJJO-OZRTXJSJSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide (CID 167111101) is (1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide is NC(=O)C1C(N)[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VDCVNVOMIJJJJO-OZRTXJSJSA-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?/m1/s1.
What are the key properties of (1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
(1R,4S)-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 (1R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 167111101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).