2-amino-4-(dimethylamino)butanoic acid

C6H14N2O2 — CID 13040926

IUPAC2-amino-4-(dimethylamino)butanoic acid
SMILESCN(C)CCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-8(2)4-3-5(7)6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyXVQRABGSXSUQLJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.65
Rot. Bonds4

About 2-amino-4-(dimethylamino)butanoic acid

2-amino-4-(dimethylamino)butanoic acid (PubChem CID 13040926) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)butanoic acid
PubChem CID13040926
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-amino-4-(dimethylamino)butanoic acid
SMILESCN(C)CCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-8(2)4-3-5(7)6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyXVQRABGSXSUQLJ-UHFFFAOYSA-N
XLogP-0.65
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
N(4)-acetyl-L-2,4-diaminobutyric acid
CID 441021
2,4-Diaminobutyric acid dihydrochloride, (+-)-
CID 2724329
2,4-Diaminobutyric acid, D-
CID 638153
2,4-Diaminobutanoic acid hydrochloride
CID 12430454
L-2,4-Diaminobutyric acid dihydrochloride
CID 2724265
Carboxynorspermidine
CID 70678631
(2R,4S)-2,4-diaminopentanoic acid
CID 440169
2-Amino-4-(methylamino)butanoic acid
CID 21295102
(2S)-2-amino-4-[hydroxy(methyl)amino]butanoic acid
CID 44576592
2,4-Diaminopentanoic acid
CID 63

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)butanoic acid?
The IUPAC name of 2-amino-4-(dimethylamino)butanoic acid (CID 13040926) is 2-amino-4-(dimethylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(dimethylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(dimethylamino)butanoic acid is CN(C)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(dimethylamino)butanoic acid?
The InChIKey is XVQRABGSXSUQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-8(2)4-3-5(7)6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-4-(dimethylamino)butanoic acid?
2-amino-4-(dimethylamino)butanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)butanoic acid is sourced from PubChem (CID 13040926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).