2-cyano-2-(methylamino)acetic acid

C4H6N2O2 — CID 154288387

IUPAC2-cyano-2-(methylamino)acetic acid
SMILESCNC(C#N)C(=O)O
InChIInChI=1S/C4H6N2O2/c1-6-3(2-5)4(7)8/h3,6H,1H3,(H,7,8)
InChIKeySIEHPEWNOALXSP-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.82
Rot. Bonds2

About 2-cyano-2-(methylamino)acetic acid

2-cyano-2-(methylamino)acetic acid (PubChem CID 154288387) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-cyano-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-cyano-2-(methylamino)acetic acid
PubChem CID154288387
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name2-cyano-2-(methylamino)acetic acid
SMILESCNC(C#N)C(=O)O
InChIInChI=1S/C4H6N2O2/c1-6-3(2-5)4(7)8/h3,6H,1H3,(H,7,8)
InChIKeySIEHPEWNOALXSP-UHFFFAOYSA-N
XLogP-0.82
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-2-hydrazinylacetic acid
CID 151714867
2-cyano-2-(ethylamino)acetic acid
CID 54558762
2-cyano-2-(propanoylamino)acetic acid
CID 131045634
2-cyano-3-(methylamino)propanoic acid
CID 83694217
actinium;2-hydroxy-2-(methylamino)acetic acid
CID 59943619
(2S)-2-acetamido-2-cyanoacetamide
CID 728882
(2S)-2-cyano-2-methoxyacetic acid
CID 170443452
2-bromo-2-cyano-N-methylacetamide
CID 21277678
N-methylacetamide;1-(methylamino)ethanol
CID 159501218
cyanamide;2-methylpropanoic acid
CID 172748410
butane;2-cyanopropanoic acid
CID 87498788
2-cyanopropanoic acid;furan
CID 174604487

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(methylamino)acetic acid?
The IUPAC name of 2-cyano-2-(methylamino)acetic acid (CID 154288387) is 2-cyano-2-(methylamino)acetic acid.
What is the SMILES notation for 2-cyano-2-(methylamino)acetic acid?
The canonical SMILES for 2-cyano-2-(methylamino)acetic acid is CNC(C#N)C(=O)O.
What is the InChIKey of 2-cyano-2-(methylamino)acetic acid?
The InChIKey is SIEHPEWNOALXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-6-3(2-5)4(7)8/h3,6H,1H3,(H,7,8).
What are the key properties of 2-cyano-2-(methylamino)acetic acid?
2-cyano-2-(methylamino)acetic acid has a molecular weight of 114.10 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(methylamino)acetic acid is sourced from PubChem (CID 154288387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).