2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid

C13H28N2O2 — CID 64711907

IUPAC2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid
SMILESCCC(C)CN(C)C(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-7-10(2)9-15(6)11(3)8-13(4,14-5)12(16)17/h10-11,14H,7-9H2,1-6H3,(H,16,17)
InChIKeySKGXIHIJWNILRK-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.81
Rot. Bonds8

About 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid

2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid (PubChem CID 64711907) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid
PubChem CID64711907
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid
SMILESCCC(C)CN(C)C(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-7-10(2)9-15(6)11(3)8-13(4,14-5)12(16)17/h10-11,14H,7-9H2,1-6H3,(H,16,17)
InChIKeySKGXIHIJWNILRK-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol
CID 64820668
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711396
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
CID 65265849
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089
2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
CID 64720044
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 64704415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid (CID 64711907) is 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid is CCC(C)CN(C)C(C)CC(C)(NC)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid?
The InChIKey is SKGXIHIJWNILRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-10(2)9-15(6)11(3)8-13(4,14-5)12(16)17/h10-11,14H,7-9H2,1-6H3,(H,16,17).
What are the key properties of 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid?
2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid has a molecular weight of 244.38 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid is sourced from PubChem (CID 64711907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).