(1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid

C8H13NO2 — CID 58168792

IUPAC(1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid
SMILESCN[C@@H]1CC=CC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-3,6-7,9H,4-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyYHQSYRJZMUMXNL-RNFRBKRXSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds2

About (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid

(1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid (PubChem CID 58168792) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid
PubChem CID58168792
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid
SMILESCN[C@@H]1CC=CC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-3,6-7,9H,4-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyYHQSYRJZMUMXNL-RNFRBKRXSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
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

cis-6-Amino-3-cyclohexene-1-carboxylic acid hydrochloride
CID 2734694
cis-2-Amino-3-cyclohexene-1-carboxylic acid hydrochloride
CID 2734695
trans-6-Amino-cyclohex-3-enecarboxylic acid
CID 7015734
cis-2-Amino-4-cyclohexene-1-carboxylic acid
CID 2724811
(1S,2R)-2-Aminocyclohex-3-ene-1-carboxylic acid
CID 7016465
(1R,2S)-2-aminocyclohex-3-ene-1-carboxylic acid
CID 2734696
cis-6-Tert-butoxycarbonylamino-cyclohex-3-enecarboxylic acid
CID 12184187
6-[(Tert-butoxycarbonyl)amino]cyclohex-3-ene-1-carboxylic acid
CID 53396854
2-Aminocyclohex-3-ene-1-carboxylic acid hydrochloride
CID 53396856
2-Amino-cyclohex-3-enecarboxylic acid
CID 10103265
6-Aminocyclohex-3-ene-1-carboxylic acid
CID 560139
(1R,6R)-6-aminocyclohex-3-ene-1-carboxylic acid
CID 2724812

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid (CID 58168792) is (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid is CN[C@@H]1CC=CC[C@H]1C(=O)O.
What is the InChIKey of (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is YHQSYRJZMUMXNL-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-3,6-7,9H,4-5H2,1H3,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid?
(1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 58168792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).