3-(methylamino)cyclohexane-1-carboxylic acid

C8H15NO2 — CID 58669479

IUPAC3-(methylamino)cyclohexane-1-carboxylic acid
SMILESCNC1CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyQZKFUJLBTNAONM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds2

About 3-(methylamino)cyclohexane-1-carboxylic acid

3-(methylamino)cyclohexane-1-carboxylic acid (PubChem CID 58669479) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-(methylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(methylamino)cyclohexane-1-carboxylic acid
PubChem CID58669479
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-(methylamino)cyclohexane-1-carboxylic acid
SMILESCNC1CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyQZKFUJLBTNAONM-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(methylamino)cyclohexane-1-carboxylic acid (CID 58669479) is 3-(methylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(methylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(methylamino)cyclohexane-1-carboxylic acid is CNC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(methylamino)cyclohexane-1-carboxylic acid?
The InChIKey is QZKFUJLBTNAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-(methylamino)cyclohexane-1-carboxylic acid?
3-(methylamino)cyclohexane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58669479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).