(3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide

C7H12BrNO2 — CID 67402613

IUPAC(3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide
SMILESBr.O=C(O)[C@H]1CN2CC[C@H]1C2
InChIInChI=1S/C7H11NO2.BrH/c9-7(10)6-4-8-2-1-5(6)3-8;/h5-6H,1-4H2,(H,9,10);1H/t5-,6-;/m0./s1
InChIKeyVWXVBGCOHGEAJL-GEMLJDPKSA-N
MW222.08 g/mol
LogP0.60
Rot. Bonds1

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

(3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide (PubChem CID 67402613) has the molecular formula C7H12BrNO2 and a molecular weight of 222.08 g/mol. Its IUPAC name is (3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name(3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide
PubChem CID67402613
Molecular FormulaC7H12BrNO2
Molecular Weight222.08 g/mol
Exact Mass221.01
IUPAC Name(3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide
SMILESBr.O=C(O)[C@H]1CN2CC[C@H]1C2
InChIInChI=1S/C7H11NO2.BrH/c9-7(10)6-4-8-2-1-5(6)3-8;/h5-6H,1-4H2,(H,9,10);1H/t5-,6-;/m0./s1
InChIKeyVWXVBGCOHGEAJL-GEMLJDPKSA-N
XLogP0.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone
CID 131859028
3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105434705
ethyl 2-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]prop-2-enoate
CID 138718030
N-methoxy-1-azabicyclo[2.2.1]heptane-3-carboximidoyl cyanide;oxalic acid
CID 173253753
1-[(3S,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(benzenesulfinyl)ethanone
CID 57210221
1-azabicyclo[2.2.2]octane-3-carbohydrazide
CID 573413
1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
CID 105429240
1-azabicyclo[2.2.2]octan-3-ol;methylcarbamic acid
CID 70359277
3-(1-azabicyclo[2.2.2]octan-3-yl)-3-oxopropanal
CID 19432884
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid
CID 105366142
1-azabicyclo[2.2.2]octan-3-yl hydrogen carbonate
CID 68769471

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide?
The IUPAC name of (3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide (CID 67402613) is (3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide.
What is the SMILES notation for (3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide?
The canonical SMILES for (3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide is Br.O=C(O)[C@H]1CN2CC[C@H]1C2.
What is the InChIKey of (3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide?
The InChIKey is VWXVBGCOHGEAJL-GEMLJDPKSA-N. The full InChI is InChI=1S/C7H11NO2.BrH/c9-7(10)6-4-8-2-1-5(6)3-8;/h5-6H,1-4H2,(H,9,10);1H/t5-,6-;/m0./s1.
What are the key properties of (3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide?
(3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide has a molecular weight of 222.08 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide is sourced from PubChem (CID 67402613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).