methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate

C14H18N2O5 — CID 25177987

IUPACmethyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate
SMILESCOC(=O)C[C@H](Cc1cccn1C)C(=O)N1OCCC1=O
InChIInChI=1S/C14H18N2O5/c1-15-6-3-4-11(15)8-10(9-13(18)20-2)14(19)16-12(17)5-7-21-16/h3-4,6,10H,5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyQAIXYNPMWDDGJT-JTQLQIEISA-N
MW294.31 g/mol
LogP0.44
Rot. Bonds5

About methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate

methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate (PubChem CID 25177987) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate
PubChem CID25177987
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate
SMILESCOC(=O)C[C@H](Cc1cccn1C)C(=O)N1OCCC1=O
InChIInChI=1S/C14H18N2O5/c1-15-6-3-4-11(15)8-10(9-13(18)20-2)14(19)16-12(17)5-7-21-16/h3-4,6,10H,5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyQAIXYNPMWDDGJT-JTQLQIEISA-N
XLogP0.44
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 102026619
CID 102026619
CID 102026620
CID 102026620
CID 102026622
CID 102026622
CID 102026625
CID 102026625
CID 132580479
CID 132580479
CID 132580484
CID 132580484
CID 132580488
CID 132580488
CID 134843447
CID 134843447
CID 134848004
CID 134848004
CID 134860396
CID 134860396
CID 134941538
CID 134941538
CID 134964306
CID 134964306

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate?
The IUPAC name of methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate (CID 25177987) is methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate.
What is the SMILES notation for methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate?
The canonical SMILES for methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate is COC(=O)C[C@H](Cc1cccn1C)C(=O)N1OCCC1=O.
What is the InChIKey of methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate?
The InChIKey is QAIXYNPMWDDGJT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O5/c1-15-6-3-4-11(15)8-10(9-13(18)20-2)14(19)16-12(17)5-7-21-16/h3-4,6,10H,5,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate?
methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate has a molecular weight of 294.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[(1-methylpyrrol-2-yl)methyl]-4-oxo-4-(3-oxo-1,2-oxazolidin-2-yl)butanoate is sourced from PubChem (CID 25177987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).