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

C14H29NO2 — CID 55055416

IUPAC2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(C)(CN(C)C(C)CC(C)C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-7-8-14(5,13(16)17)10-15(6)12(4)9-11(2)3/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyXUJUHHOFSGTHOD-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.24
Rot. Bonds8

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

2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid (PubChem CID 55055416) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
PubChem CID55055416
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(C)(CN(C)C(C)CC(C)C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-7-8-14(5,13(16)17)10-15(6)12(4)9-11(2)3/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyXUJUHHOFSGTHOD-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid
CID 62270300
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
CID 63921885
N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine
CID 62259004
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 62266178
2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)propanoic acid
CID 63922289
2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
CID 79858388
2-amino-2-methyl-3-[methyl(4-methylpentan-2-yl)amino]propan-1-ol
CID 64826194
2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid
CID 62270301
2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid
CID 82952538
1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol
CID 55068286
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal
CID 62276452

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid (CID 55055416) is 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid is CCCC(C)(CN(C)C(C)CC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid?
The InChIKey is XUJUHHOFSGTHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-8-14(5,13(16)17)10-15(6)12(4)9-11(2)3/h11-12H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid?
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 55055416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).