3-amino-4-[cyclohexyl(methyl)amino]butanoic acid

C11H22N2O2 — CID 115241626

IUPAC3-amino-4-[cyclohexyl(methyl)amino]butanoic acid
SMILESCN(CC(N)CC(=O)O)C1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13(8-9(12)7-11(14)15)10-5-3-2-4-6-10/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyIKVDFODWYHQKQQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds5

About 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid

3-amino-4-[cyclohexyl(methyl)amino]butanoic acid (PubChem CID 115241626) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name3-amino-4-[cyclohexyl(methyl)amino]butanoic acid
PubChem CID115241626
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-4-[cyclohexyl(methyl)amino]butanoic acid
SMILESCN(CC(N)CC(=O)O)C1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13(8-9(12)7-11(14)15)10-5-3-2-4-6-10/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyIKVDFODWYHQKQQ-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid?
The IUPAC name of 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid (CID 115241626) is 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid.
What is the SMILES notation for 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid?
The canonical SMILES for 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid is CN(CC(N)CC(=O)O)C1CCCCC1.
What is the InChIKey of 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid?
The InChIKey is IKVDFODWYHQKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(8-9(12)7-11(14)15)10-5-3-2-4-6-10/h9-10H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid?
3-amino-4-[cyclohexyl(methyl)amino]butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclohexyl(methyl)amino]butanoic acid is sourced from PubChem (CID 115241626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).