methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate

C10H17NO4 — CID 112632548

IUPACmethyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)C(C)C
InChIInChI=1S/C10H17NO4/c1-6(2)9(13)11-5-7(12)4-8(11)10(14)15-3/h6-8,12H,4-5H2,1-3H3
InChIKeyVSPRRZCBWILPSG-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.22
Rot. Bonds2

About methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 112632548) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID112632548
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)C(C)C
InChIInChI=1S/C10H17NO4/c1-6(2)9(13)11-5-7(12)4-8(11)10(14)15-3/h6-8,12H,4-5H2,1-3H3
InChIKeyVSPRRZCBWILPSG-UHFFFAOYSA-N
XLogP-0.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4R)-1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 154984807
methyl 4-hydroxy-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylate
CID 113422292
methyl 4-hydroxy-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrrolidine-2-carboxylate
CID 103310506
methyl 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971232
2-O-methyl 1-O-(3-methylbutan-2-yl) (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 163576880
methyl (4S)-4-hydroxy-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 69048853
ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
CID 145121615
methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate
CID 115971364
methyl (2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 58593762
4-O-[(3R,5S)-5-methoxycarbonyl-1-(2-methylpropanoyl)pyrrolidin-3-yl] 1-O-methyl (E)-but-2-enedioate
CID 122482194
methyl 1-[3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 123425721
methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
CID 112632356

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate (CID 112632548) is methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)C(C)C.
What is the InChIKey of methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is VSPRRZCBWILPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)9(13)11-5-7(12)4-8(11)10(14)15-3/h6-8,12H,4-5H2,1-3H3.
What are the key properties of methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 215.25 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).