2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid

C13H27NO2 — CID 122499424

IUPAC2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid
SMILESCC(C)CC(C)N(C)C(C)CC(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-9(2)7-11(4)14(6)12(5)8-10(3)13(15)16/h9-12H,7-8H2,1-6H3,(H,15,16)
InChIKeyLKSPXGHZVFMZRF-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.85
Rot. Bonds7

About 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid

2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid (PubChem CID 122499424) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid
PubChem CID122499424
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid
SMILESCC(C)CC(C)N(C)C(C)CC(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-9(2)7-11(4)14(6)12(5)8-10(3)13(15)16/h9-12H,7-8H2,1-6H3,(H,15,16)
InChIKeyLKSPXGHZVFMZRF-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)-4-methylpentanoic acid
CID 11658330
4-(Trimethylammonio)pentanoic Acid
CID 73167559
(2R)-2-(dimethylamino)-4-methylpentanoic acid
CID 21030588
Rac-(1r,3r)-3-(dimethylamino)cyclobutane-1-carboxylic acid hydrochloride
CID 90411221
N-Dimethylleucin
CID 575134
Rac-(1s,3s)-3-(pyrrolidin-1-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 154878787
1,2-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 155895625
4-(Dimethylamino)-4-methylpentanoic acid hydrochloride
CID 167732809
l-leucine-N,N-diacetic acid
CID 18664113
4-(Isopropyl(methyl)amino)butanoic acid
CID 21027685
3-(Dimethylamino)cyclobutane-1-carboxylic acid
CID 68016738
2-[Bis(carboxymethyl)amino]-4-methylpentanoic acid
CID 225940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid?
The IUPAC name of 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid (CID 122499424) is 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid is CC(C)CC(C)N(C)C(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid?
The InChIKey is LKSPXGHZVFMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-9(2)7-11(4)14(6)12(5)8-10(3)13(15)16/h9-12H,7-8H2,1-6H3,(H,15,16).
What are the key properties of 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid?
2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid has a molecular weight of 229.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122499424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).