3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid

C11H22N2O2 — CID 79121669

IUPAC3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C1CCC(N)CC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(11(14)15)7-13(2)10-5-3-9(12)4-6-10/h8-10H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyBSEZITXKBJLWTQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.91
Rot. Bonds4

About 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid

3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid (PubChem CID 79121669) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid
PubChem CID79121669
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C1CCC(N)CC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(11(14)15)7-13(2)10-5-3-9(12)4-6-10/h8-10H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyBSEZITXKBJLWTQ-UHFFFAOYSA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid
CID 79110399
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 79120845
2-methyl-3-[methyl(oxepan-4-yl)amino]propanoic acid
CID 65080780
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-methylpropanoic acid
CID 65066992
3-[(4-aminocyclohexyl)-methylamino]butanoic acid
CID 79121835
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpropanoic acid
CID 43648891
2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid
CID 106821073
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid (CID 79121669) is 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid is CC(CN(C)C1CCC(N)CC1)C(=O)O.
What is the InChIKey of 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is BSEZITXKBJLWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(11(14)15)7-13(2)10-5-3-9(12)4-6-10/h8-10H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid?
3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79121669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).