3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid

C12H26N2O2 — CID 82330254

IUPAC3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
SMILESCC(C)CCN(CCC(=O)O)CCN(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2)5-7-14(8-6-12(15)16)10-9-13(3)4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyUAAZAZOQIQUHOR-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.37
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid

3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid (PubChem CID 82330254) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
PubChem CID82330254
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
SMILESCC(C)CCN(CCC(=O)O)CCN(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2)5-7-14(8-6-12(15)16)10-9-13(3)4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyUAAZAZOQIQUHOR-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid
CID 55143158
3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
CID 82328793
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63053033
3-[bis(3-methylbutyl)amino]propanamide
CID 103601317
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanehydrazide
CID 63585784
3-[3-methylbutyl(propan-2-yl)amino]propanoic acid
CID 60840337
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methylbutyl)amino]propanoic acid
CID 82327356
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid (CID 82330254) is 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid is CC(C)CCN(CCC(=O)O)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid?
The InChIKey is UAAZAZOQIQUHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2)5-7-14(8-6-12(15)16)10-9-13(3)4/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid?
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid is sourced from PubChem (CID 82330254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).