(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid

C10H17NO2 — CID 67232659

IUPAC(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
SMILESCC1(C)[C@H]2C[C@@H]1[C@H](N)[C@H](C(=O)O)C2
InChIInChI=1S/C10H17NO2/c1-10(2)5-3-6(9(12)13)8(11)7(10)4-5/h5-8H,3-4,11H2,1-2H3,(H,12,13)/t5-,6-,7-,8-/m1/s1
InChIKeyQWGOAXBNSBIKLN-WCTZXXKLSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds1

About (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid

(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid (PubChem CID 67232659) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
PubChem CID67232659
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
SMILESCC1(C)[C@H]2C[C@@H]1[C@H](N)[C@H](C(=O)O)C2
InChIInChI=1S/C10H17NO2/c1-10(2)5-3-6(9(12)13)8(11)7(10)4-5/h5-8H,3-4,11H2,1-2H3,(H,12,13)/t5-,6-,7-,8-/m1/s1
InChIKeyQWGOAXBNSBIKLN-WCTZXXKLSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid?
The IUPAC name of (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid (CID 67232659) is (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid.
What is the SMILES notation for (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid?
The canonical SMILES for (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid is CC1(C)[C@H]2C[C@@H]1[C@H](N)[C@H](C(=O)O)C2.
What is the InChIKey of (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid?
The InChIKey is QWGOAXBNSBIKLN-WCTZXXKLSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2)5-3-6(9(12)13)8(11)7(10)4-5/h5-8H,3-4,11H2,1-2H3,(H,12,13)/t5-,6-,7-,8-/m1/s1.
What are the key properties of (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid?
(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid is sourced from PubChem (CID 67232659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).