2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid

C13H27NO2 — CID 62270300

IUPAC2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(C)(CN(C)C(C)C(C)C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-7-8-13(5,12(15)16)9-14(6)11(4)10(2)3/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyLSLPIKHLFOFBFW-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.85
Rot. Bonds7

About 2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid

2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid (PubChem CID 62270300) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid
PubChem CID62270300
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(C)(CN(C)C(C)C(C)C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-7-8-13(5,12(15)16)9-14(6)11(4)10(2)3/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyLSLPIKHLFOFBFW-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

2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
CID 55055416
2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
CID 79858388
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid
CID 82952538
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine
CID 79814315
2,2,4-trimethyl-4-propylpentanedioic acid
CID 19091003
4-hydroxy-2-methyl-2-propylhexanoic acid
CID 79425025
4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid
CID 114495188
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid
CID 62270301
2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
CID 62272164

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid (CID 62270300) is 2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid is CCCC(C)(CN(C)C(C)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid?
The InChIKey is LSLPIKHLFOFBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-8-13(5,12(15)16)9-14(6)11(4)10(2)3/h10-11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid?
2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]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-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 62270300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).