2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid

C12H25N3O2 — CID 55171826

IUPAC2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
SMILESCN1CCC(CN(C)CCC(C)(N)C(=O)O)C1
InChIInChI=1S/C12H25N3O2/c1-12(13,11(16)17)5-7-15(3)9-10-4-6-14(2)8-10/h10H,4-9,13H2,1-3H3,(H,16,17)
InChIKeyNOLDLRLYVOOXEG-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.06
Rot. Bonds6

About 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid

2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid (PubChem CID 55171826) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
PubChem CID55171826
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
SMILESCN1CCC(CN(C)CCC(C)(N)C(=O)O)C1
InChIInChI=1S/C12H25N3O2/c1-12(13,11(16)17)5-7-15(3)9-10-4-6-14(2)8-10/h10H,4-9,13H2,1-3H3,(H,16,17)
InChIKeyNOLDLRLYVOOXEG-UHFFFAOYSA-N
XLogP0.06
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid with MolForge

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Related Compounds

2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
CID 62861052
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
2-amino-2-methyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanamide
CID 63236966
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274774
methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)butanamide
CID 63274172
2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236573
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274429
2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
CID 55174419
1-N,2-dimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63274555
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
CID 79626351

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid?
The IUPAC name of 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid (CID 55171826) is 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid is CN1CCC(CN(C)CCC(C)(N)C(=O)O)C1.
What is the InChIKey of 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid?
The InChIKey is NOLDLRLYVOOXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(13,11(16)17)5-7-15(3)9-10-4-6-14(2)8-10/h10H,4-9,13H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid?
2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid has a molecular weight of 243.35 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 55171826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).