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

C12H24N2O2 — CID 79314030

IUPAC3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
SMILESCC(C)C(C(=O)O)N(C)CC1CCCN1C
InChIInChI=1S/C12H24N2O2/c1-9(2)11(12(15)16)14(4)8-10-6-5-7-13(10)3/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyWTHSXPJJBDQBFC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds5

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

3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid (PubChem CID 79314030) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
PubChem CID79314030
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
SMILESCC(C)C(C(=O)O)N(C)CC1CCCN1C
InChIInChI=1S/C12H24N2O2/c1-9(2)11(12(15)16)14(4)8-10-6-5-7-13(10)3/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyWTHSXPJJBDQBFC-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 79315110
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 114357451
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
(2R)-3,3-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 103928149
4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide
CID 79303980
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 79319687

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid (CID 79314030) is 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid is CC(C)C(C(=O)O)N(C)CC1CCCN1C.
What is the InChIKey of 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid?
The InChIKey is WTHSXPJJBDQBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)11(12(15)16)14(4)8-10-6-5-7-13(10)3/h9-11H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid?
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 79314030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).