(2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide

C5H11N3O2S — CID 54058910

IUPAC(2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide
SMILESNC(=O)CNC(=O)[C@@H](N)CS
InChIInChI=1S/C5H11N3O2S/c6-3(2-11)5(10)8-1-4(7)9/h3,11H,1-2,6H2,(H2,7,9)(H,8,10)/t3-/m0/s1
InChIKeyLYGBCADYATVSNQ-VKHMYHEASA-N
MW177.23 g/mol
LogP-2.15
Rot. Bonds4

About (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide

(2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide (PubChem CID 54058910) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide
PubChem CID54058910
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name(2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide
SMILESNC(=O)CNC(=O)[C@@H](N)CS
InChIInChI=1S/C5H11N3O2S/c6-3(2-11)5(10)8-1-4(7)9/h3,11H,1-2,6H2,(H2,7,9)(H,8,10)/t3-/m0/s1
InChIKeyLYGBCADYATVSNQ-VKHMYHEASA-N
XLogP-2.15
TPSA98.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide (CID 54058910) is (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide is NC(=O)CNC(=O)[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide?
The InChIKey is LYGBCADYATVSNQ-VKHMYHEASA-N. The full InChI is InChI=1S/C5H11N3O2S/c6-3(2-11)5(10)8-1-4(7)9/h3,11H,1-2,6H2,(H2,7,9)(H,8,10)/t3-/m0/s1.
What are the key properties of (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide?
(2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide has a molecular weight of 177.23 g/mol, XLogP of -2.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-amino-2-oxoethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 54058910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).