(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride

C7H12ClNO2 — CID 2734694

IUPAC(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CC=CC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-2,5-6H,3-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1
InChIKeyHZJHDHWPTTVQSN-IBTYICNHSA-N
MW177.63 g/mol
LogP0.79
Rot. Bonds1

About (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride

(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride (PubChem CID 2734694) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride
PubChem CID2734694
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CC=CC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-2,5-6H,3-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1
InChIKeyHZJHDHWPTTVQSN-IBTYICNHSA-N
XLogP0.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,6S)-6-aminocyclohex-3-ene-1-carboxylic acid
CID 7015734
(2R)-cyclohex-4-ene-1,2-dicarboxylic acid
CID 59116144
(1S,6R)-6-carbamoylcyclohex-3-ene-1-carboxylic acid
CID 70124852
calcium;cyclohex-4-ene-1,2-dicarboxylic acid;hydride
CID 175524215
methyl (1R,6S)-6-aminocyclohex-3-ene-1-carboxylate
CID 95434652
cyclohex-4-ene-1,2-diamine;hydrochloride
CID 19043994
(1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride
CID 163198404
(6S)-6-formylcyclohex-3-ene-1-carboxylic acid
CID 142182365
6-propanoylcyclohex-3-ene-1-carboxylic acid
CID 89112270
6-cyanocyclohex-3-ene-1-carboxylic acid
CID 13277739
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
6-(3-aminopyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 62068915

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride?
The IUPAC name of (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride (CID 2734694) is (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride?
The canonical SMILES for (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride is Cl.N[C@H]1CC=CC[C@H]1C(=O)O.
What is the InChIKey of (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride?
The InChIKey is HZJHDHWPTTVQSN-IBTYICNHSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-2,5-6H,3-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1.
What are the key properties of (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride?
(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 2734694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).