(2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide

C7H14N2OS — CID 89096568

IUPAC(2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide
SMILESC/C=C\CNC(=O)[C@@H](N)CS
InChIInChI=1S/C7H14N2OS/c1-2-3-4-9-7(10)6(8)5-11/h2-3,6,11H,4-5,8H2,1H3,(H,9,10)/b3-2-/t6-/m0/s1
InChIKeyVUSMKGOMAMORQL-GFNSNHMOSA-N
MW174.27 g/mol
LogP-0.06
Rot. Bonds4

About (2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide

(2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide (PubChem CID 89096568) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is (2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide
PubChem CID89096568
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name(2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide
SMILESC/C=C\CNC(=O)[C@@H](N)CS
InChIInChI=1S/C7H14N2OS/c1-2-3-4-9-7(10)6(8)5-11/h2-3,6,11H,4-5,8H2,1H3,(H,9,10)/b3-2-/t6-/m0/s1
InChIKeyVUSMKGOMAMORQL-GFNSNHMOSA-N
XLogP-0.06
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[(Z)-but-2-enyl]-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide (CID 89096568) is (2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide is C/C=C\CNC(=O)[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide?
The InChIKey is VUSMKGOMAMORQL-GFNSNHMOSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-2-3-4-9-7(10)6(8)5-11/h2-3,6,11H,4-5,8H2,1H3,(H,9,10)/b3-2-/t6-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide?
(2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide has a molecular weight of 174.27 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide is sourced from PubChem (CID 89096568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).