2,3-bis(dimethylamino)butanoic acid

C8H18N2O2 — CID 23346831

IUPAC2,3-bis(dimethylamino)butanoic acid
SMILESCC(C(C(=O)O)N(C)C)N(C)C
InChIInChI=1S/C8H18N2O2/c1-6(9(2)3)7(8(11)12)10(4)5/h6-7H,1-5H3,(H,11,12)
InChIKeyXUPVLDWOGBYPOF-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.05
Rot. Bonds4

About 2,3-bis(dimethylamino)butanoic acid

2,3-bis(dimethylamino)butanoic acid (PubChem CID 23346831) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,3-bis(dimethylamino)butanoic acid.

Molecular Properties

Compound Name2,3-bis(dimethylamino)butanoic acid
PubChem CID23346831
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2,3-bis(dimethylamino)butanoic acid
SMILESCC(C(C(=O)O)N(C)C)N(C)C
InChIInChI=1S/C8H18N2O2/c1-6(9(2)3)7(8(11)12)10(4)5/h6-7H,1-5H3,(H,11,12)
InChIKeyXUPVLDWOGBYPOF-UHFFFAOYSA-N
XLogP-0.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
(2R,3R)-2-(dimethylamino)-3-hydroxybutanoic acid
CID 131877082
2-(dimethylamino)-3-methyl-5-oxopentanoic acid
CID 175114199
3-hydroxy-2-[1-hydroxyethyl(methyl)amino]butanoic acid
CID 174747251
1-(dimethylamino)ethanol;2-hydroxypropanoic acid
CID 21124980
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
CID 166115605
(E,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid
CID 5289446
2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid
CID 3371803
fermium;3-methyl-2-[methyl(oxomethyl)amino]butanoic acid
CID 166481876
2-N,2-N,3-N,3-N-tetramethylbutane-2,3-diamine;hydrochloride
CID 175121214

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(dimethylamino)butanoic acid?
The IUPAC name of 2,3-bis(dimethylamino)butanoic acid (CID 23346831) is 2,3-bis(dimethylamino)butanoic acid.
What is the SMILES notation for 2,3-bis(dimethylamino)butanoic acid?
The canonical SMILES for 2,3-bis(dimethylamino)butanoic acid is CC(C(C(=O)O)N(C)C)N(C)C.
What is the InChIKey of 2,3-bis(dimethylamino)butanoic acid?
The InChIKey is XUPVLDWOGBYPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(9(2)3)7(8(11)12)10(4)5/h6-7H,1-5H3,(H,11,12).
What are the key properties of 2,3-bis(dimethylamino)butanoic acid?
2,3-bis(dimethylamino)butanoic acid has a molecular weight of 174.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(dimethylamino)butanoic acid is sourced from PubChem (CID 23346831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).