2-(azanylidyne(113C)methyl)acetic acid

C3H3NO2 — CID 169436842

IUPAC2-(azanylidyne(113C)methyl)acetic acid
SMILESN#[13C][13CH2]C(=O)O
InChIInChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)/i1+1,2+1
InChIKeyMLIREBYILWEBDM-ZDOIIHCHSA-N
MW87.05 g/mol
LogP-0.02
Rot. Bonds1

About 2-(azanylidyne(113C)methyl)acetic acid

2-(azanylidyne(113C)methyl)acetic acid (PubChem CID 169436842) has the molecular formula C3H3NO2 and a molecular weight of 87.05 g/mol. Its IUPAC name is 2-(azanylidyne(113C)methyl)acetic acid.

Molecular Properties

Compound Name2-(azanylidyne(113C)methyl)acetic acid
PubChem CID169436842
Molecular FormulaC3H3NO2
Molecular Weight87.05 g/mol
Exact Mass87.02
IUPAC Name2-(azanylidyne(113C)methyl)acetic acid
SMILESN#[13C][13CH2]C(=O)O
InChIInChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)/i1+1,2+1
InChIKeyMLIREBYILWEBDM-ZDOIIHCHSA-N
XLogP-0.02
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.05
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azanylidyne(113C)methyl)acetic acid?
The IUPAC name of 2-(azanylidyne(113C)methyl)acetic acid (CID 169436842) is 2-(azanylidyne(113C)methyl)acetic acid.
What is the SMILES notation for 2-(azanylidyne(113C)methyl)acetic acid?
The canonical SMILES for 2-(azanylidyne(113C)methyl)acetic acid is N#[13C][13CH2]C(=O)O.
What is the InChIKey of 2-(azanylidyne(113C)methyl)acetic acid?
The InChIKey is MLIREBYILWEBDM-ZDOIIHCHSA-N. The full InChI is InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)/i1+1,2+1.
What are the key properties of 2-(azanylidyne(113C)methyl)acetic acid?
2-(azanylidyne(113C)methyl)acetic acid has a molecular weight of 87.05 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azanylidyne(113C)methyl)acetic acid is sourced from PubChem (CID 169436842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).