(2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide

C6H10N2O2S — CID 22880468

IUPAC(2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide
SMILESC=CC(=O)NC(=O)[C@@H](N)CS
InChIInChI=1S/C6H10N2O2S/c1-2-5(9)8-6(10)4(7)3-11/h2,4,11H,1,3,7H2,(H,8,9,10)/t4-/m0/s1
InChIKeyMRUKXZAPOKZNLF-BYPYZUCNSA-N
MW174.22 g/mol
LogP-0.93
Rot. Bonds3

About (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide

(2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide (PubChem CID 22880468) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide
PubChem CID22880468
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name(2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide
SMILESC=CC(=O)NC(=O)[C@@H](N)CS
InChIInChI=1S/C6H10N2O2S/c1-2-5(9)8-6(10)4(7)3-11/h2,4,11H,1,3,7H2,(H,8,9,10)/t4-/m0/s1
InChIKeyMRUKXZAPOKZNLF-BYPYZUCNSA-N
XLogP-0.93
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide (CID 22880468) is (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide is C=CC(=O)NC(=O)[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide?
The InChIKey is MRUKXZAPOKZNLF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-2-5(9)8-6(10)4(7)3-11/h2,4,11H,1,3,7H2,(H,8,9,10)/t4-/m0/s1.
What are the key properties of (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide?
(2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide has a molecular weight of 174.22 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide is sourced from PubChem (CID 22880468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).