1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate

C14H25NO5 — CID 22358756

IUPAC1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)C1(C(C)O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-6-19-11(17)14(10(2)16)8-7-9-15(14)12(18)20-13(3,4)5/h10,16H,6-9H2,1-5H3
InChIKeyUDHZAVGNQBOUDU-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds3

About 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 22358756) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
PubChem CID22358756
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)C1(C(C)O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-6-19-11(17)14(10(2)16)8-7-9-15(14)12(18)20-13(3,4)5/h10,16H,6-9H2,1-5H3
InChIKeyUDHZAVGNQBOUDU-UHFFFAOYSA-N
XLogP1.70
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 2-O-ethyl (2R)-2-(2-methylsulfanylethyl)pyrrolidine-1,2-dicarboxylate
CID 102146438
1-O-tert-butyl 4-O-ethyl 4-propan-2-ylpiperidine-1,4-dicarboxylate
CID 53393416
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
1-O-tert-butyl 2-O-methyl 2-(2-methylpropyl)pyrrolidine-1,2-dicarboxylate
CID 83079865
1-O-tert-butyl 2-O-ethyl 2-acetylaziridine-1,2-dicarboxylate
CID 15506301
2-ethylsulfonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 91525373
(2S)-2-[[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 164848315
tert-butyl 2-ethyl-2-formylpyrrolidine-1-carboxylate
CID 130067790

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate (CID 22358756) is 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate is CCOC(=O)C1(C(C)O)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is UDHZAVGNQBOUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-6-19-11(17)14(10(2)16)8-7-9-15(14)12(18)20-13(3,4)5/h10,16H,6-9H2,1-5H3.
What are the key properties of 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-ethyl 2-(1-hydroxyethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 22358756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).