(2S)-2-acetamido-2-cyanoacetamide

C5H7N3O2 — CID 728882

IUPAC(2S)-2-acetamido-2-cyanoacetamide
SMILESCC(=O)N[C@@H](C#N)C(N)=O
InChIInChI=1S/C5H7N3O2/c1-3(9)8-4(2-6)5(7)10/h4H,1H3,(H2,7,10)(H,8,9)/t4-/m0/s1
InChIKeyAYEWMEZOBFGNOD-BYPYZUCNSA-N
MW141.13 g/mol
LogP-1.50
Rot. Bonds2

About (2S)-2-acetamido-2-cyanoacetamide

(2S)-2-acetamido-2-cyanoacetamide (PubChem CID 728882) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is (2S)-2-acetamido-2-cyanoacetamide.

Molecular Properties

Compound Name(2S)-2-acetamido-2-cyanoacetamide
PubChem CID728882
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name(2S)-2-acetamido-2-cyanoacetamide
SMILESCC(=O)N[C@@H](C#N)C(N)=O
InChIInChI=1S/C5H7N3O2/c1-3(9)8-4(2-6)5(7)10/h4H,1H3,(H2,7,10)(H,8,9)/t4-/m0/s1
InChIKeyAYEWMEZOBFGNOD-BYPYZUCNSA-N
XLogP-1.50
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-cyanoacetamide?
The IUPAC name of (2S)-2-acetamido-2-cyanoacetamide (CID 728882) is (2S)-2-acetamido-2-cyanoacetamide.
What is the SMILES notation for (2S)-2-acetamido-2-cyanoacetamide?
The canonical SMILES for (2S)-2-acetamido-2-cyanoacetamide is CC(=O)N[C@@H](C#N)C(N)=O.
What is the InChIKey of (2S)-2-acetamido-2-cyanoacetamide?
The InChIKey is AYEWMEZOBFGNOD-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3(9)8-4(2-6)5(7)10/h4H,1H3,(H2,7,10)(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-acetamido-2-cyanoacetamide?
(2S)-2-acetamido-2-cyanoacetamide has a molecular weight of 141.13 g/mol, XLogP of -1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-cyanoacetamide is sourced from PubChem (CID 728882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).