2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide

C15H28N4O5 — CID 145293742

About 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide

2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide (PubChem CID 145293742) has the molecular formula C15H28N4O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide
• PubChem CID: 145293742
• Molecular Formula: C15H28N4O5
• Molecular Weight: 344.41 g/mol
• Exact Mass: 344.21
• IUPAC Name: 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide
• SMILES: COCC(NN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)C1(C)CO1
• InChI: InChI=1S/C15H28N4O5/c1-9(2)5-10(13(21)15(3)8-24-15)18-12(20)6-17-14(22)11(19-16)7-23-4/h9-11,19H,5-8,16H2,1-4H3,(H,17,22)(H,18,20)/t10-,11?,15?/m0/s1
• InChIKey: TYXSJTXALMBOOP-NLTNOIMHSA-N
• XLogP: -1.53
• TPSA: 135.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.41
LogP ≤ 5	-1.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide?

The IUPAC name of 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide (CID 145293742) is 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide.

What is the SMILES notation for 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide?

The canonical SMILES for 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide is COCC(NN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)C1(C)CO1.

What is the InChIKey of 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide?

The InChIKey is TYXSJTXALMBOOP-NLTNOIMHSA-N. The full InChI is InChI=1S/C15H28N4O5/c1-9(2)5-10(13(21)15(3)8-24-15)18-12(20)6-17-14(22)11(19-16)7-23-4/h9-11,19H,5-8,16H2,1-4H3,(H,17,22)(H,18,20)/t10-,11?,15?/m0/s1.

What are the key properties of 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide?

2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide has a molecular weight of 344.41 g/mol, XLogP of -1.53, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 145293742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).