5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid

C15H31NO2 — CID 65254635

IUPAC5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
SMILESCC(C)CN(CCCC(C)(C)C(=O)O)CC(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)10-16(11-13(3)4)9-7-8-15(5,6)14(17)18/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyATXOOQWMCRQOOV-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.49
Rot. Bonds9

About 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid

5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid (PubChem CID 65254635) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
PubChem CID65254635
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
SMILESCC(C)CN(CCCC(C)(C)C(=O)O)CC(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)10-16(11-13(3)4)9-7-8-15(5,6)14(17)18/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyATXOOQWMCRQOOV-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 65260345
5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63466519
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
CID 115221210
1-amino-5-[bis(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64820002
6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid
CID 106713981
2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid
CID 65254940
3-[2-cyanoethyl(2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 79623580
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254
3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid (CID 65254635) is 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid is CC(C)CN(CCCC(C)(C)C(=O)O)CC(C)C.
What is the InChIKey of 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid?
The InChIKey is ATXOOQWMCRQOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)10-16(11-13(3)4)9-7-8-15(5,6)14(17)18/h12-13H,7-11H2,1-6H3,(H,17,18).
What are the key properties of 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid?
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid has a molecular weight of 257.42 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65254635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).