(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid

C7H12N2O2 — CID 96735288

IUPAC(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CN2CC[C@H]1C2
InChIInChI=1S/C7H12N2O2/c8-7(6(10)11)4-9-2-1-5(7)3-9/h5H,1-4,8H2,(H,10,11)/t5-,7-/m0/s1
InChIKeyOYVBAHKOKYSTFZ-FSPLSTOPSA-N
MW156.18 g/mol
LogP-0.90
Rot. Bonds1

About (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid

(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid (PubChem CID 96735288) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid
PubChem CID96735288
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CN2CC[C@H]1C2
InChIInChI=1S/C7H12N2O2/c8-7(6(10)11)4-9-2-1-5(7)3-9/h5H,1-4,8H2,(H,10,11)/t5-,7-/m0/s1
InChIKeyOYVBAHKOKYSTFZ-FSPLSTOPSA-N
XLogP-0.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid?
The IUPAC name of (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid (CID 96735288) is (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid?
The canonical SMILES for (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid is N[C@@]1(C(=O)O)CN2CC[C@H]1C2.
What is the InChIKey of (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid?
The InChIKey is OYVBAHKOKYSTFZ-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-7(6(10)11)4-9-2-1-5(7)3-9/h5H,1-4,8H2,(H,10,11)/t5-,7-/m0/s1.
What are the key properties of (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid?
(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid is sourced from PubChem (CID 96735288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).