(2R)-azepane-2-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 135393254

IUPAC(2R)-azepane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCCCN1
InChIInChI=1S/C7H13NO2.ClH/c9-7(10)6-4-2-1-3-5-8-6;/h6,8H,1-5H2,(H,9,10);1H/t6-;/m1./s1
InChIKeyZLLUTYACBSEHCT-FYZOBXCZSA-N
MW179.65 g/mol
LogP1.02
Rot. Bonds1

About (2R)-azepane-2-carboxylic acid;hydrochloride

(2R)-azepane-2-carboxylic acid;hydrochloride (PubChem CID 135393254) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (2R)-azepane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-azepane-2-carboxylic acid;hydrochloride
PubChem CID135393254
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(2R)-azepane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCCCN1
InChIInChI=1S/C7H13NO2.ClH/c9-7(10)6-4-2-1-3-5-8-6;/h6,8H,1-5H2,(H,9,10);1H/t6-;/m1./s1
InChIKeyZLLUTYACBSEHCT-FYZOBXCZSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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pyrrolidine-2-carboxylic acid
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hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
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(213C)azolidine-2-carboxylic acid
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argon;(2S)-pyrrolidine-2-carboxylic acid
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(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
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CID 70552648

Frequently Asked Questions

What is the IUPAC name of (2R)-azepane-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-azepane-2-carboxylic acid;hydrochloride (CID 135393254) is (2R)-azepane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-azepane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-azepane-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1CCCCCN1.
What is the InChIKey of (2R)-azepane-2-carboxylic acid;hydrochloride?
The InChIKey is ZLLUTYACBSEHCT-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c9-7(10)6-4-2-1-3-5-8-6;/h6,8H,1-5H2,(H,9,10);1H/t6-;/m1./s1.
What are the key properties of (2R)-azepane-2-carboxylic acid;hydrochloride?
(2R)-azepane-2-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-azepane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 135393254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).