2-[bis(3-methylbutyl)amino]butanoic acid

C14H29NO2 — CID 107870312

IUPAC2-[bis(3-methylbutyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C14H29NO2/c1-6-13(14(16)17)15(9-7-11(2)3)10-8-12(4)5/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyXLEHDNAFYWELEH-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.24
Rot. Bonds9

About 2-[bis(3-methylbutyl)amino]butanoic acid

2-[bis(3-methylbutyl)amino]butanoic acid (PubChem CID 107870312) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[bis(3-methylbutyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[bis(3-methylbutyl)amino]butanoic acid
PubChem CID107870312
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[bis(3-methylbutyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C14H29NO2/c1-6-13(14(16)17)15(9-7-11(2)3)10-8-12(4)5/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyXLEHDNAFYWELEH-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

(2S)-2-(dimethylamino)-4-methylpentanoic acid
CID 11658330
N,N-Dimethyl-L-Valine
CID 11008044
n,n-Dimethylisoleucine
CID 11768849
(2S)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 22885074
HMBOA hexose
CID 18628337
(2R)-2-(dimethylamino)-4-methylpentanoic acid
CID 21030588
(2R)-2-(dimethylamino)-3-methylbutanoic acid
CID 40493914
2-(Diethylamino)butanoic acid hydrochloride
CID 54594122
(2R)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 92534057
N,N-Dipropyl-L-alanine
CID 14274716
2-(Diethylamino)butanoic acid
CID 23290221
2-(Dimethylamino)-3-methylbutanoic acid
CID 14584527

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-methylbutyl)amino]butanoic acid?
The IUPAC name of 2-[bis(3-methylbutyl)amino]butanoic acid (CID 107870312) is 2-[bis(3-methylbutyl)amino]butanoic acid.
What is the SMILES notation for 2-[bis(3-methylbutyl)amino]butanoic acid?
The canonical SMILES for 2-[bis(3-methylbutyl)amino]butanoic acid is CCC(C(=O)O)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-[bis(3-methylbutyl)amino]butanoic acid?
The InChIKey is XLEHDNAFYWELEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-13(14(16)17)15(9-7-11(2)3)10-8-12(4)5/h11-13H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-[bis(3-methylbutyl)amino]butanoic acid?
2-[bis(3-methylbutyl)amino]butanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-methylbutyl)amino]butanoic acid is sourced from PubChem (CID 107870312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).