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

C9H16N2O2 — CID 137362170

IUPAC(5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCCNCC1C2CN(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?/m0/s1
InChIKeyAJWDWSLEOAAVDR-WTIBDHCWSA-N
MW184.24 g/mol
LogP0.45
Rot. Bonds3

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

(5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 137362170) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID137362170
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCCNCC1C2CN(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?/m0/s1
InChIKeyAJWDWSLEOAAVDR-WTIBDHCWSA-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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Related Compounds

tert-butyl (1R,5S,6R)-6-(aminomethyl)-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 57415833
[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid
CID 69415587
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-ethylacetamide;2,2,2-trifluoroacetic acid
CID 137360428
6-(2-Aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 146464364
2,8-Diazaspiro[4.5]decane-2-carboxylic acid
CID 17973623
2,8-Diazaspiro[4.5]decane-8-carboxylic acid
CID 21109162
4-(Ethylaminomethyl)piperidine-1-carboxylic acid
CID 21897504
4-(Methylaminomethyl)piperidine-1-carboxylic acid
CID 21897624
4-(Acetamidomethyl)piperidine-1-carboxylic acid
CID 21897864
3-Azabicyclo[3.1.0]hexan-6-amine;tert-butylcarbamic acid
CID 21995423
4-[(Cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-(1-Aminoethyl)piperidine-1-carboxylic acid
CID 22135570

Frequently Asked Questions

What is the IUPAC name of (5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 137362170) is (5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is CCNCC1C2CN(C(=O)O)C[C@@H]12.
What is the InChIKey of (5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is AJWDWSLEOAAVDR-WTIBDHCWSA-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?/m0/s1.
What are the key properties of (5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(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 (5S)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 137362170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).