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

C11H21NO3 — CID 106940265

IUPAC2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid
SMILESCC(OCC1CCCCC1CN)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(11(13)14)15-7-10-5-3-2-4-9(10)6-12/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeySVMNBTMSXUYSLY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.24
Rot. Bonds5

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

2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid (PubChem CID 106940265) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid
PubChem CID106940265
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid
SMILESCC(OCC1CCCCC1CN)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(11(13)14)15-7-10-5-3-2-4-9(10)6-12/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeySVMNBTMSXUYSLY-UHFFFAOYSA-N
XLogP1.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.24
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]propanoic acid?
The IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid (CID 106940265) is 2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid?
The canonical SMILES for 2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid is CC(OCC1CCCCC1CN)C(=O)O.
What is the InChIKey of 2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid?
The InChIKey is SVMNBTMSXUYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(11(13)14)15-7-10-5-3-2-4-9(10)6-12/h8-10H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid?
2-[[2-(aminomethyl)cyclohexyl]methoxy]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.24, 5 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]propanoic acid is sourced from PubChem (CID 106940265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).