2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid

C12H23NO3 — CID 106940287

IUPAC2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid
SMILESCCC(OCC1CCCCC1CN)C(=O)O
InChIInChI=1S/C12H23NO3/c1-2-11(12(14)15)16-8-10-6-4-3-5-9(10)7-13/h9-11H,2-8,13H2,1H3,(H,14,15)
InChIKeySRLMJGDOGDCPIE-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.63
Rot. Bonds6

About 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid

2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid (PubChem CID 106940287) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid
PubChem CID106940287
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid
SMILESCCC(OCC1CCCCC1CN)C(=O)O
InChIInChI=1S/C12H23NO3/c1-2-11(12(14)15)16-8-10-6-4-3-5-9(10)7-13/h9-11H,2-8,13H2,1H3,(H,14,15)
InChIKeySRLMJGDOGDCPIE-UHFFFAOYSA-N
XLogP1.63
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid?
The IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid (CID 106940287) is 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid?
The canonical SMILES for 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid is CCC(OCC1CCCCC1CN)C(=O)O.
What is the InChIKey of 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid?
The InChIKey is SRLMJGDOGDCPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-11(12(14)15)16-8-10-6-4-3-5-9(10)7-13/h9-11H,2-8,13H2,1H3,(H,14,15).
What are the key properties of 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid?
2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclohexyl]methoxy]butanoic acid is sourced from PubChem (CID 106940287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).