rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid

C7H11NO2 — CID 10011990

IUPAC(1S,5R)-5-aminocyclohex-3-ene-1-carboxylic acid
SMILESC1C=C[C@@H](C[C@H]1C(=O)O)N
InChIInChI=1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5-6H,2,4,8H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyQOUDZMWPQSGONB-WDSKDSINSA-N
MW141.17 g/mol
LogP-2.40
Rot. Bonds1

About rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid

rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid (PubChem CID 10011990) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S,5R)-5-aminocyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Namerac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid
PubChem CID10011990
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S,5R)-5-aminocyclohex-3-ene-1-carboxylic acid
SMILESC1C=C[C@@H](C[C@H]1C(=O)O)N
InChIInChI=1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5-6H,2,4,8H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyQOUDZMWPQSGONB-WDSKDSINSA-N
XLogP-2.40
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 ≤ 5-2.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid
CID 2734525
cis-6-Amino-3-cyclohexene-1-carboxylic acid hydrochloride
CID 2734694
cis-2-Amino-3-cyclohexene-1-carboxylic acid hydrochloride
CID 2734695
4-Aminocyclopent-2-ene-1-carboxylic acid
CID 10034643
4-Amino-2-cyclopentene-1-carboxylic acid
CID 10171262
trans-6-Amino-cyclohex-3-enecarboxylic acid
CID 7015734
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
(1R,4S)-4-Amino-3-fluorocyclopent-2-ene-1-carboxylic acid
CID 16094596
Amino(cyclopent-2-en-1-yl)acetic acid
CID 336897

Frequently Asked Questions

What is the IUPAC name of rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid?
The IUPAC name of rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid (CID 10011990) is (1S,5R)-5-aminocyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid is C1C=C[C@@H](C[C@H]1C(=O)O)N.
What is the InChIKey of rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid?
The InChIKey is QOUDZMWPQSGONB-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5-6H,2,4,8H2,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid?
rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of -2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 10011990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).