2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid

C12H25NO2 — CID 65067442

IUPAC2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid
SMILESCC(C)CCC(C)N(C)CC(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-9(2)6-7-11(4)13(5)8-10(3)12(14)15/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyLZGKXUCDOWCPSF-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.46
Rot. Bonds7

About 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid

2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid (PubChem CID 65067442) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid
PubChem CID65067442
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid
SMILESCC(C)CCC(C)N(C)CC(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-9(2)6-7-11(4)13(5)8-10(3)12(14)15/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyLZGKXUCDOWCPSF-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
CID 65067286
3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257
4-[2-hydroxypropyl(methyl)amino]pentanoic acid
CID 62332604
2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
CID 82329020
2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid
CID 54475032
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
CID 82323302
3-[tert-butyl(methyl)amino]-2-methylpropanoic acid
CID 82111352
4-[ethyl(methyl)amino]pentanoic acid
CID 62214342
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457
3-[2,2-diethylbutyl(methyl)amino]-2-methylpropanoic acid
CID 122047170
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
2,11-dimethyldodecanoic acid
CID 22251841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid (CID 65067442) is 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid is CC(C)CCC(C)N(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid?
The InChIKey is LZGKXUCDOWCPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)6-7-11(4)13(5)8-10(3)12(14)15/h9-11H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid?
2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid is sourced from PubChem (CID 65067442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).