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

C7H11NO2 — CID 10419269

IUPAC(1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid
SMILESN[C@@H]1C=CC[C@H](C(=O)O)C1
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-NTSWFWBYSA-N
MW141.17 g/mol
LogP0.36
Rot. Bonds1

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

(1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid (PubChem CID 10419269) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid
PubChem CID10419269
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid
SMILESN[C@@H]1C=CC[C@H](C(=O)O)C1
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-NTSWFWBYSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid (CID 10419269) is (1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid is N[C@@H]1C=CC[C@H](C(=O)O)C1.
What is the InChIKey of (1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid?
The InChIKey is QOUDZMWPQSGONB-NTSWFWBYSA-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 (1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid?
(1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 10419269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).