N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide

C9H16N4O4S — CID 58003273

IUPACN-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide
SMILESCC(=O)NCC(=O)NNC(=O)CNC(=O)CCS
InChIInChI=1S/C9H16N4O4S/c1-6(14)10-4-8(16)12-13-9(17)5-11-7(15)2-3-18/h18H,2-5H2,1H3,(H,10,14)(H,11,15)(H,12,16)(H,13,17)
InChIKeyLEPYXMQKMUULRD-UHFFFAOYSA-N
MW276.32 g/mol
LogP-2.29
Rot. Bonds6

About N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide

N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide (PubChem CID 58003273) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide
PubChem CID58003273
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC NameN-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide
SMILESCC(=O)NCC(=O)NNC(=O)CNC(=O)CCS
InChIInChI=1S/C9H16N4O4S/c1-6(14)10-4-8(16)12-13-9(17)5-11-7(15)2-3-18/h18H,2-5H2,1H3,(H,10,14)(H,11,15)(H,12,16)(H,13,17)
InChIKeyLEPYXMQKMUULRD-UHFFFAOYSA-N
XLogP-2.29
TPSA116.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-2.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide (CID 58003273) is N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide is CC(=O)NCC(=O)NNC(=O)CNC(=O)CCS.
What is the InChIKey of N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide?
The InChIKey is LEPYXMQKMUULRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-6(14)10-4-8(16)12-13-9(17)5-11-7(15)2-3-18/h18H,2-5H2,1H3,(H,10,14)(H,11,15)(H,12,16)(H,13,17).
What are the key properties of N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide?
N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide has a molecular weight of 276.32 g/mol, XLogP of -2.29, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 58003273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).