2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid

C12H24N2O2 — CID 115219639

IUPAC2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
SMILESCC(CN(C)CCC1CCN(C)C1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-10(12(15)16)8-13(2)6-4-11-5-7-14(3)9-11/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyZZJFWQKYBSHDIC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.98
Rot. Bonds6

About 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid (PubChem CID 115219639) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
PubChem CID115219639
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
SMILESCC(CN(C)CCC1CCN(C)C1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-10(12(15)16)8-13(2)6-4-11-5-7-14(3)9-11/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyZZJFWQKYBSHDIC-UHFFFAOYSA-N
XLogP0.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]butanoic acid
CID 115241889
2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220913
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
CID 115236802
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid
CID 119149324
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid (CID 115219639) is 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid is CC(CN(C)CCC1CCN(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid?
The InChIKey is ZZJFWQKYBSHDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(12(15)16)8-13(2)6-4-11-5-7-14(3)9-11/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid is sourced from PubChem (CID 115219639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).