[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride

C25H28Cl2N4O8S — CID 24771461

About [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride

[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride (PubChem CID 24771461) has the molecular formula C25H28Cl2N4O8S and a molecular weight of 615.49 g/mol. Its IUPAC name is [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

• Compound Name: [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride
• PubChem CID: 24771461
• Molecular Formula: C25H28Cl2N4O8S
• Molecular Weight: 615.49 g/mol
• Exact Mass: 614.10
• IUPAC Name: [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride
• SMILES: CC(C)(N)C(=O)OCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1.Cl
• InChI: InChI=1S/C25H27ClN4O8S.ClH/c1-25(2,27)23(34)37-14-21(32)30(22(33)18-7-8-19(26)39-18)12-17-11-29(24(35)38-17)16-5-3-15(4-6-16)28-9-10-36-13-20(28)31;/h3-8,17H,9-14,27H2,1-2H3;1H/t17-;/m1./s1
• InChIKey: KTMRFQNFFVPCLH-UNTBIKODSA-N
• XLogP: 2.46
• TPSA: 148.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.49
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride?

The IUPAC name of [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride (CID 24771461) is [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride.

What is the SMILES notation for [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride?

The canonical SMILES for [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride is CC(C)(N)C(=O)OCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1.Cl.

What is the InChIKey of [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride?

The InChIKey is KTMRFQNFFVPCLH-UNTBIKODSA-N. The full InChI is InChI=1S/C25H27ClN4O8S.ClH/c1-25(2,27)23(34)37-14-21(32)30(22(33)18-7-8-19(26)39-18)12-17-11-29(24(35)38-17)16-5-3-15(4-6-16)28-9-10-36-13-20(28)31;/h3-8,17H,9-14,27H2,1-2H3;1H/t17-;/m1./s1.

What are the key properties of [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride?

[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride has a molecular weight of 615.49 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] 2-amino-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 24771461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).