(2R)-2-(methylideneamino)-3-sulfanylpropanoic acid

C4H7NO2S — CID 87984598

IUPAC(2R)-2-(methylideneamino)-3-sulfanylpropanoic acid
SMILESC=N[C@@H](CS)C(=O)O
InChIInChI=1S/C4H7NO2S/c1-5-3(2-8)4(6)7/h3,8H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKeyNCGVZTZWMFOVHN-VKHMYHEASA-N
MW133.17 g/mol
LogP0.07
Rot. Bonds3

About (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid

(2R)-2-(methylideneamino)-3-sulfanylpropanoic acid (PubChem CID 87984598) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(methylideneamino)-3-sulfanylpropanoic acid
PubChem CID87984598
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name(2R)-2-(methylideneamino)-3-sulfanylpropanoic acid
SMILESC=N[C@@H](CS)C(=O)O
InChIInChI=1S/C4H7NO2S/c1-5-3(2-8)4(6)7/h3,8H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKeyNCGVZTZWMFOVHN-VKHMYHEASA-N
XLogP0.07
TPSA49.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(methylideneamino)-4-sulfanylbutan-2-one
CID 89325211
(2S)-2-(methylideneamino)butanoic acid
CID 163502880
2-(carboxymethylideneamino)-3-sulfanylpropanoic acid
CID 87650549
(2R)-2-(3-oxopropylideneamino)-3-sulfanylpropanoic acid
CID 90721472
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
2-fluoro-3-sulfanylpropanoic acid
CID 19034215
2-amino-3-sulfanylpropanoic acid
CID 21459566
(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
CID 87623250
CID 87623250
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid (CID 87984598) is (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid is C=N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid?
The InChIKey is NCGVZTZWMFOVHN-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO2S/c1-5-3(2-8)4(6)7/h3,8H,1-2H2,(H,6,7)/t3-/m0/s1.
What are the key properties of (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid?
(2R)-2-(methylideneamino)-3-sulfanylpropanoic acid has a molecular weight of 133.17 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylideneamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 87984598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).