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

C9H18N2O2 — CID 96639224

IUPAC2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
SMILESCN1CC[C@H](CN(C)CC(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-10-4-3-8(5-10)6-11(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyQVYFSHBBBDYCOA-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.05
Rot. Bonds4

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

2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid (PubChem CID 96639224) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
PubChem CID96639224
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
SMILESCN1CC[C@H](CN(C)CC(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-10-4-3-8(5-10)6-11(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyQVYFSHBBBDYCOA-QMMMGPOBSA-N
XLogP-0.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid
CID 63275597
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170472
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170858
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248496
2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
CID 55171826
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 113448833
3-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 115164653

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid (CID 96639224) is 2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid is CN1CC[C@H](CN(C)CC(=O)O)C1.
What is the InChIKey of 2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid?
The InChIKey is QVYFSHBBBDYCOA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-4-3-8(5-10)6-11(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid?
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid has a molecular weight of 186.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid is sourced from PubChem (CID 96639224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).