(2S)-2-(methylideneamino)butanamide

C5H10N2O — CID 55284194

IUPAC(2S)-2-(methylideneamino)butanamide
SMILESC=N[C@@H](CC)C(N)=O
InChIInChI=1S/C5H10N2O/c1-3-4(7-2)5(6)8/h4H,2-3H2,1H3,(H2,6,8)/t4-/m0/s1
InChIKeyQBSQDYTXGWVMJW-BYPYZUCNSA-N
MW114.15 g/mol
LogP-0.05
Rot. Bonds3

About (2S)-2-(methylideneamino)butanamide

(2S)-2-(methylideneamino)butanamide (PubChem CID 55284194) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (2S)-2-(methylideneamino)butanamide.

Molecular Properties

Compound Name(2S)-2-(methylideneamino)butanamide
PubChem CID55284194
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(2S)-2-(methylideneamino)butanamide
SMILESC=N[C@@H](CC)C(N)=O
InChIInChI=1S/C5H10N2O/c1-3-4(7-2)5(6)8/h4H,2-3H2,1H3,(H2,6,8)/t4-/m0/s1
InChIKeyQBSQDYTXGWVMJW-BYPYZUCNSA-N
XLogP-0.05
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylideneamino)butanamide?
The IUPAC name of (2S)-2-(methylideneamino)butanamide (CID 55284194) is (2S)-2-(methylideneamino)butanamide.
What is the SMILES notation for (2S)-2-(methylideneamino)butanamide?
The canonical SMILES for (2S)-2-(methylideneamino)butanamide is C=N[C@@H](CC)C(N)=O.
What is the InChIKey of (2S)-2-(methylideneamino)butanamide?
The InChIKey is QBSQDYTXGWVMJW-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-4(7-2)5(6)8/h4H,2-3H2,1H3,(H2,6,8)/t4-/m0/s1.
What are the key properties of (2S)-2-(methylideneamino)butanamide?
(2S)-2-(methylideneamino)butanamide has a molecular weight of 114.15 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylideneamino)butanamide is sourced from PubChem (CID 55284194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).