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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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).