3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid

C8H18N2O3 — CID 104645222

IUPAC3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCN(CCCN)CC(C)(O)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-8(13,7(11)12)6-10(2)5-3-4-9/h13H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyGCLOQWQWEPEEGN-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.90
Rot. Bonds6

About 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 104645222) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID104645222
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCN(CCCN)CC(C)(O)C(=O)O
InChIInChI=1S/C8H18N2O3/c1-8(13,7(11)12)6-10(2)5-3-4-9/h13H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyGCLOQWQWEPEEGN-UHFFFAOYSA-N
XLogP-0.90
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Ethylamino)-2-hydroxy-2-methylpropanoic acid
CID 88669725
3-(Dipropylamino)-2-hydroxy-2-methylpropanoic acid
CID 64470573
3-[Bis(2-methylpropyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 64470588
3-[Ethyl(propyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 64470796
2-Hydroxy-2-methyl-3-piperazin-1-ylpropanoic acid
CID 64470802
3-(1,4-Diazepan-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 64470804
3-[2-(Dimethylamino)ethyl-propylamino]-2-hydroxy-2-methylpropanoic acid
CID 64470822
3-(4-Aminopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 64471017
3-[Butyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 64471220
2-Hydroxy-2-methyl-3-[methyl(propyl)amino]propanoic acid
CID 64471225
2-Hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanoic acid
CID 64471227
2-Hydroxy-2-methyl-3-[methyl(piperidin-4-yl)amino]propanoic acid
CID 64471234

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 104645222) is 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid is CN(CCCN)CC(C)(O)C(=O)O.
What is the InChIKey of 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is GCLOQWQWEPEEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(13,7(11)12)6-10(2)5-3-4-9/h13H,3-6,9H2,1-2H3,(H,11,12).
What are the key properties of 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 190.24 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104645222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).