2-[butyl(methyl)amino]-2-methylbutanoic acid

C10H21NO2 — CID 114988987

IUPAC2-[butyl(methyl)amino]-2-methylbutanoic acid
SMILESCCCCN(C)C(C)(CC)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-7-8-11(4)10(3,6-2)9(12)13/h5-8H2,1-4H3,(H,12,13)
InChIKeyPJAHNMKJMPHSKI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.97
Rot. Bonds6

About 2-[butyl(methyl)amino]-2-methylbutanoic acid

2-[butyl(methyl)amino]-2-methylbutanoic acid (PubChem CID 114988987) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-2-methylbutanoic acid
PubChem CID114988987
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[butyl(methyl)amino]-2-methylbutanoic acid
SMILESCCCCN(C)C(C)(CC)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-7-8-11(4)10(3,6-2)9(12)13/h5-8H2,1-4H3,(H,12,13)
InChIKeyPJAHNMKJMPHSKI-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid
CID 114990864
2-(dipropylamino)-2-methylbutanoic acid
CID 78969481
2-(dibutylamino)-2-methylhexanoic acid
CID 174674804
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid
CID 114987675
CID 175912914
CID 175912914
3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813770
2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
2-[(dibutylamino)methyl]-2-ethylbutanoic acid
CID 62270470

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[butyl(methyl)amino]-2-methylbutanoic acid (CID 114988987) is 2-[butyl(methyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-2-methylbutanoic acid is CCCCN(C)C(C)(CC)C(=O)O.
What is the InChIKey of 2-[butyl(methyl)amino]-2-methylbutanoic acid?
The InChIKey is PJAHNMKJMPHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-8-11(4)10(3,6-2)9(12)13/h5-8H2,1-4H3,(H,12,13).
What are the key properties of 2-[butyl(methyl)amino]-2-methylbutanoic acid?
2-[butyl(methyl)amino]-2-methylbutanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 114988987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).