methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate

C10H19NO4 — CID 106670150

IUPACmethyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC(O)C(O)C1
InChIInChI=1S/C10H19NO4/c1-10(2,9(14)15-3)6-11-4-7(12)8(13)5-11/h7-8,12-13H,4-6H2,1-3H3
InChIKeyXNGROGYUIHCHSX-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.78
Rot. Bonds3

About methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate

methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate (PubChem CID 106670150) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate
PubChem CID106670150
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC(O)C(O)C1
InChIInChI=1S/C10H19NO4/c1-10(2,9(14)15-3)6-11-4-7(12)8(13)5-11/h7-8,12-13H,4-6H2,1-3H3
InChIKeyXNGROGYUIHCHSX-UHFFFAOYSA-N
XLogP-0.78
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate
CID 79621134
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 114502582
methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate
CID 79620337
methyl 3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621757
methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
CID 164888555
methyl 3-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropanoate
CID 79621520
methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
CID 102984510
methyl 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoate
CID 103976271
methyl 2,2-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoate
CID 79619970
methyl 2,2-dimethyl-3-(1,4-oxazepan-4-yl)propanoate
CID 79620916
methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate
CID 79620588
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate
CID 103535263

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate (CID 106670150) is methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CC(O)C(O)C1.
What is the InChIKey of methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is XNGROGYUIHCHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,9(14)15-3)6-11-4-7(12)8(13)5-11/h7-8,12-13H,4-6H2,1-3H3.
What are the key properties of methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 217.26 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 106670150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).