(2S)-2-(methylideneamino)propanamide

C4H8N2O — CID 89222384

IUPAC(2S)-2-(methylideneamino)propanamide
SMILESC=N[C@@H](C)C(N)=O
InChIInChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h3H,2H2,1H3,(H2,5,7)/t3-/m0/s1
InChIKeySOQDUZVACIRLDA-VKHMYHEASA-N
MW100.12 g/mol
LogP-0.44
Rot. Bonds2

About (2S)-2-(methylideneamino)propanamide

(2S)-2-(methylideneamino)propanamide (PubChem CID 89222384) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (2S)-2-(methylideneamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylideneamino)propanamide
PubChem CID89222384
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(2S)-2-(methylideneamino)propanamide
SMILESC=N[C@@H](C)C(N)=O
InChIInChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h3H,2H2,1H3,(H2,5,7)/t3-/m0/s1
InChIKeySOQDUZVACIRLDA-VKHMYHEASA-N
XLogP-0.44
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.44
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)propanamide?
The IUPAC name of (2S)-2-(methylideneamino)propanamide (CID 89222384) is (2S)-2-(methylideneamino)propanamide.
What is the SMILES notation for (2S)-2-(methylideneamino)propanamide?
The canonical SMILES for (2S)-2-(methylideneamino)propanamide is C=N[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-(methylideneamino)propanamide?
The InChIKey is SOQDUZVACIRLDA-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h3H,2H2,1H3,(H2,5,7)/t3-/m0/s1.
What are the key properties of (2S)-2-(methylideneamino)propanamide?
(2S)-2-(methylideneamino)propanamide has a molecular weight of 100.12 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylideneamino)propanamide is sourced from PubChem (CID 89222384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).