(1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C9H16N2O2 — CID 137360490

IUPAC(1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCCNCC1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C9H16N2O2/c1-2-10-3-6-7-4-11(9(12)13)5-8(6)7/h6-8,10H,2-5H2,1H3,(H,12,13)/t6?,7-,8+
InChIKeyAJWDWSLEOAAVDR-IEESLHIDSA-N
MW184.24 g/mol
LogP0.45
Rot. Bonds3

About (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 137360490) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID137360490
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCCNCC1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C9H16N2O2/c1-2-10-3-6-7-4-11(9(12)13)5-8(6)7/h6-8,10H,2-5H2,1H3,(H,12,13)/t6?,7-,8+
InChIKeyAJWDWSLEOAAVDR-IEESLHIDSA-N
XLogP0.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 137360490) is (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is CCNCC1[C@H]2CN(C(=O)O)C[C@@H]12.
What is the InChIKey of (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is AJWDWSLEOAAVDR-IEESLHIDSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-10-3-6-7-4-11(9(12)13)5-8(6)7/h6-8,10H,2-5H2,1H3,(H,12,13)/t6?,7-,8+.
What are the key properties of (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 137360490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).