methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate

C8H13NO4 — CID 102256348

IUPACmethyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)C1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C8H13NO4/c1-4(2)5-6(7(10)12-3)13-8(11)9-5/h4-6H,1-3H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyRWJFPEVSCNVQLA-ZBHICJROSA-N
MW187.19 g/mol
LogP0.29
Rot. Bonds2

About methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate

methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate (PubChem CID 102256348) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate
PubChem CID102256348
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namemethyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)C1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C8H13NO4/c1-4(2)5-6(7(10)12-3)13-8(11)9-5/h4-6H,1-3H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyRWJFPEVSCNVQLA-ZBHICJROSA-N
XLogP0.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate 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

(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737
5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14325962
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065
(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14023289
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
CID 57373165
methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 122163643
methyl 4-hydroxy-5-oxo-2H-furan-2-carboxylate
CID 90470554
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one
CID 102316859
methyl (1R,2S,6R,7S,8R)-4,4-dimethyl-10-oxo-3,5,9-trioxa-11-azatricyclo[6.3.0.02,6]undecane-7-carboxylate
CID 10244169
dimethyl 4-methoxy-5-oxooxolane-2,3-dicarboxylate
CID 118047935
(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboperoxoic acid
CID 59131647

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate?
The IUPAC name of methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate (CID 102256348) is methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate is COC(=O)C1OC(=O)N[C@H]1C(C)C.
What is the InChIKey of methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate?
The InChIKey is RWJFPEVSCNVQLA-ZBHICJROSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4(2)5-6(7(10)12-3)13-8(11)9-5/h4-6H,1-3H3,(H,9,11)/t5-,6?/m0/s1.
What are the key properties of methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate?
methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate has a molecular weight of 187.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 102256348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).