tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol

C11H21NO5 — CID 143021832

IUPACtert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)N1CC(O)CC1C=O.CO
InChIInChI=1S/C10H17NO4.CH4O/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12;1-2/h6-8,13H,4-5H2,1-3H3;2H,1H3
InChIKeyWKCRKFDCECDOCW-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.16
Rot. Bonds1

About tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol

tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol (PubChem CID 143021832) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol.

Molecular Properties

Compound Nametert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
PubChem CID143021832
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nametert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)N1CC(O)CC1C=O.CO
InChIInChI=1S/C10H17NO4.CH4O/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12;1-2/h6-8,13H,4-5H2,1-3H3;2H,1H3
InChIKeyWKCRKFDCECDOCW-UHFFFAOYSA-N
XLogP0.16
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-formyl-4-methylpyrrolidine-1-carboxylate
CID 86679299
tert-butyl (4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 154003917
tert-butyl (2R,4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 86614993
tert-butyl (2R,4S)-2-formyl-4-methoxypyrrolidine-1-carboxylate
CID 124652560
2-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 155819570
tert-butyl N-[2-[(2S,4S)-2-formyl-4-hydroxypyrrolidin-1-yl]-2-sulfanylideneethyl]carbamate
CID 59926953
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl (2S,4S)-2-(bromomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 170900143
tert-butyl (2S,4R)-2-(2-amino-2-oxoethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 69415666
tert-butyl (2S,4R)-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 97103095
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 102568585

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol?
The IUPAC name of tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol (CID 143021832) is tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol.
What is the SMILES notation for tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol?
The canonical SMILES for tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol is CC(C)(C)OC(=O)N1CC(O)CC1C=O.CO.
What is the InChIKey of tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol?
The InChIKey is WKCRKFDCECDOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.CH4O/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12;1-2/h6-8,13H,4-5H2,1-3H3;2H,1H3.
What are the key properties of tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol?
tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol has a molecular weight of 247.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol is sourced from PubChem (CID 143021832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).