4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid

C13H29N3O2 — CID 55143158

IUPAC4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid
SMILESCNC(CCN(CCN(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C13H29N3O2/c1-11(2)10-16(9-8-15(4)5)7-6-12(14-3)13(17)18/h11-12,14H,6-10H2,1-5H3,(H,17,18)
InChIKeyMOUDCTDZHUTUEY-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.57
Rot. Bonds10

About 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid (PubChem CID 55143158) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid
PubChem CID55143158
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid
SMILESCNC(CCN(CCN(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C13H29N3O2/c1-11(2)10-16(9-8-15(4)5)7-6-12(14-3)13(17)18/h11-12,14H,6-10H2,1-5H3,(H,17,18)
InChIKeyMOUDCTDZHUTUEY-UHFFFAOYSA-N
XLogP0.57
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63053033
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
CID 82330254
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
CID 63029585
3-[2-(dimethylamino)ethyl-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82330442
4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028225
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanehydrazide
CID 63585784
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)butanoic acid
CID 63055306
4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
CID 63055017
methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate
CID 55010482
2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid
CID 63029021

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid?
The IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid (CID 55143158) is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid is CNC(CCN(CCN(C)C)CC(C)C)C(=O)O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid?
The InChIKey is MOUDCTDZHUTUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-11(2)10-16(9-8-15(4)5)7-6-12(14-3)13(17)18/h11-12,14H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid?
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid has a molecular weight of 259.39 g/mol, XLogP of 0.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid is sourced from PubChem (CID 55143158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).