2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid

C13H27NO2 — CID 114990867

IUPAC2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
SMILESCCCC(C)N(C)C(C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-7-8-11(4)14(6)13(5,12(15)16)9-10(2)3/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyZYKJHMMRPPQYIT-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.00
Rot. Bonds7

About 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid

2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid (PubChem CID 114990867) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
PubChem CID114990867
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
SMILESCCCC(C)N(C)C(C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-7-8-11(4)14(6)13(5,12(15)16)9-10(2)3/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyZYKJHMMRPPQYIT-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)-4-methylpentanoic acid
CID 11658330
n,n-Dimethylisoleucine
CID 11768849
(2R)-2-(dimethylamino)-4-methylpentanoic acid
CID 21030588
(2S)-2-cyclopropyl-2-(dimethylamino)acetic acid
CID 53685599
1-Carboxyethylleucine
CID 53752255
N-Dimethylisoleucin
CID 18690829
N-Dimethylleucin
CID 575134
(2S)-4-methyl-2-(N-methylacetamido)pentanoic acid
CID 10877862
(2S)-2-(ethylamino)-4-methylpentanoic acid
CID 11367161
l-leucine-N,N-diacetic acid
CID 18664113
Ethyl DL-leucine
CID 18757178
1-Carboxybutyl(trimethyl)azanium
CID 21226615

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid (CID 114990867) is 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid is CCCC(C)N(C)C(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid?
The InChIKey is ZYKJHMMRPPQYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-8-11(4)14(6)13(5,12(15)16)9-10(2)3/h10-11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid?
2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid has a molecular weight of 229.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 114990867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).