trans-6-Amino-cyclohex-3-enecarboxylic acid

C7H11NO2 — CID 7015734

IUPAC(1S,6S)-6-aminocyclohex-3-ene-1-carboxylic acid
SMILESC1C=CC[C@@H]([C@H]1C(=O)O)N
InChIInChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyCQINMZNDBYQHKR-WDSKDSINSA-N
MW141.17 g/mol
LogP-1.70
Rot. Bonds1

About trans-6-Amino-cyclohex-3-enecarboxylic acid

trans-6-Amino-cyclohex-3-enecarboxylic acid (PubChem CID 7015734) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S,6S)-6-aminocyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Nametrans-6-Amino-cyclohex-3-enecarboxylic acid
PubChem CID7015734
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S,6S)-6-aminocyclohex-3-ene-1-carboxylic acid
SMILESC1C=CC[C@@H]([C@H]1C(=O)O)N
InChIInChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyCQINMZNDBYQHKR-WDSKDSINSA-N
XLogP-1.70
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity165

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
Cis-2-aminocyclopent-3-enecarboxylic acid hydrochloride
CID 45262160
l-Dihydrophenylalanine
CID 27662
cis-2-Amino-4-cyclohexene-1-carboxylic acid
CID 2724811
(1S,2R)-2-Amino-cyclohex-3-enecarboxylic acid
CID 7016465
5-Amino-cyclohex-3-enecarboxylic acid
CID 10419269
Amino(cyclopent-2-en-1-yl)acetic acid
CID 336897
alpha-Amino-3-cyclohexene-1-acetic acid
CID 90911
rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid
CID 10011990
(1R,2S)-2-Amino-cyclohex-3-enecarboxylic acid
CID 2734696
(1R,2S)-2-aminocyclopent-3-ene-1-carboxylic acid
CID 5275638

Frequently Asked Questions

What is the IUPAC name of trans-6-Amino-cyclohex-3-enecarboxylic acid?
The IUPAC name of trans-6-Amino-cyclohex-3-enecarboxylic acid (CID 7015734) is (1S,6S)-6-aminocyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for trans-6-Amino-cyclohex-3-enecarboxylic acid?
The canonical SMILES for trans-6-Amino-cyclohex-3-enecarboxylic acid is C1C=CC[C@@H]([C@H]1C(=O)O)N.
What is the InChIKey of trans-6-Amino-cyclohex-3-enecarboxylic acid?
The InChIKey is CQINMZNDBYQHKR-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of trans-6-Amino-cyclohex-3-enecarboxylic acid?
trans-6-Amino-cyclohex-3-enecarboxylic acid has a molecular weight of 141.17 g/mol, XLogP of -1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-6-Amino-cyclohex-3-enecarboxylic acid is sourced from PubChem (CID 7015734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).