2-((111C)methylamino)acetic acid

C3H7NO2 — CID 73443002

IUPAC2-((111C)methylamino)acetic acid
SMILES[11CH3]NCC(=O)O
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/i1-1
InChIKeyFSYKKLYZXJSNPZ-BJUDXGSMSA-N
MW88.09 g/mol
LogP-0.71
Rot. Bonds2

About 2-((111C)methylamino)acetic acid

2-((111C)methylamino)acetic acid (PubChem CID 73443002) has the molecular formula C3H7NO2 and a molecular weight of 88.09 g/mol. Its IUPAC name is 2-((111C)methylamino)acetic acid.

Molecular Properties

Compound Name2-((111C)methylamino)acetic acid
PubChem CID73443002
Molecular FormulaC3H7NO2
Molecular Weight88.09 g/mol
Exact Mass88.06
IUPAC Name2-((111C)methylamino)acetic acid
SMILES[11CH3]NCC(=O)O
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/i1-1
InChIKeyFSYKKLYZXJSNPZ-BJUDXGSMSA-N
XLogP-0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.09
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-((111C)methylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-((111C)methylamino)acetic acid?
The IUPAC name of 2-((111C)methylamino)acetic acid (CID 73443002) is 2-((111C)methylamino)acetic acid.
What is the SMILES notation for 2-((111C)methylamino)acetic acid?
The canonical SMILES for 2-((111C)methylamino)acetic acid is [11CH3]NCC(=O)O.
What is the InChIKey of 2-((111C)methylamino)acetic acid?
The InChIKey is FSYKKLYZXJSNPZ-BJUDXGSMSA-N. The full InChI is InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/i1-1.
What are the key properties of 2-((111C)methylamino)acetic acid?
2-((111C)methylamino)acetic acid has a molecular weight of 88.09 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-((111C)methylamino)acetic acid is sourced from PubChem (CID 73443002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).