2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid

C8H16N2O2 — CID 83481451

IUPAC2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid
SMILESCNC(C(=O)O)C1CCN(C)C1
InChIInChI=1S/C8H16N2O2/c1-9-7(8(11)12)6-3-4-10(2)5-6/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyJONPGVMOIGVFFV-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.39
Rot. Bonds3

About 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid

2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid (PubChem CID 83481451) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid
PubChem CID83481451
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid
SMILESCNC(C(=O)O)C1CCN(C)C1
InChIInChI=1S/C8H16N2O2/c1-9-7(8(11)12)6-3-4-10(2)5-6/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyJONPGVMOIGVFFV-UHFFFAOYSA-N
XLogP-0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid (CID 83481451) is 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid is CNC(C(=O)O)C1CCN(C)C1.
What is the InChIKey of 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid?
The InChIKey is JONPGVMOIGVFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-7(8(11)12)6-3-4-10(2)5-6/h6-7,9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid?
2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid has a molecular weight of 172.23 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 83481451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).