2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid

C12H24N2O2 — CID 79110399

IUPAC2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid
SMILESCNC1CCC(N(C)CC(C)C(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16)8-14(3)11-6-4-10(13-2)5-7-11/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyKKLDQNVNTOITEW-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid

2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid (PubChem CID 79110399) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid
PubChem CID79110399
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid
SMILESCNC1CCC(N(C)CC(C)C(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16)8-14(3)11-6-4-10(13-2)5-7-11/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyKKLDQNVNTOITEW-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid
CID 79121669
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-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpropanoic acid
CID 43648891
2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid
CID 106821073
N,N-dimethyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79122060
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
CID 62977424
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
CID 62628133
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid (CID 79110399) is 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid is CNC1CCC(N(C)CC(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid?
The InChIKey is KKLDQNVNTOITEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(12(15)16)8-14(3)11-6-4-10(13-2)5-7-11/h9-11,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid?
2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid is sourced from PubChem (CID 79110399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).