tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate

C19H34N2O5 — CID 71029023

IUPACtert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCCC(=O)C(NC(=O)C1CC(O)CN1C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C19H34N2O5/c1-7-8-9-15(23)16(12(2)3)20-17(24)14-10-13(22)11-21(14)18(25)26-19(4,5)6/h12-14,16,22H,7-11H2,1-6H3,(H,20,24)
InChIKeyROYXVDUYJOECKJ-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.26
Rot. Bonds7

About tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate

tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 71029023) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID71029023
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Nametert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCCC(=O)C(NC(=O)C1CC(O)CN1C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C19H34N2O5/c1-7-8-9-15(23)16(12(2)3)20-17(24)14-10-13(22)11-21(14)18(25)26-19(4,5)6/h12-14,16,22H,7-11H2,1-6H3,(H,20,24)
InChIKeyROYXVDUYJOECKJ-UHFFFAOYSA-N
XLogP2.26
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S,4R)-2-[[(2S)-butan-2-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 41374897
1-O-tert-butyl 2-O-hexyl 4-hydroxypyrrolidine-1,2-dicarboxylate
CID 170975970
tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221
1-O-tert-butyl 2-O-ethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 12709318
tert-butyl (2R,4R)-4-hydroxy-2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 166771165
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
tert-butyl N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10839970
1-O-tert-butyl 2-O-(2-methylpropanoyl) 4-hydroxypyrrolidine-1,2-dicarboxylate
CID 123668646
sodium;hydride;(4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 173126664
1-O-tert-butyl 2-O-(8-oxo-8-tridecan-7-yloxyoctyl) (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 169203793
CID 23435303
CID 23435303
tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 102568585

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate (CID 71029023) is tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate is CCCCC(=O)C(NC(=O)C1CC(O)CN1C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ROYXVDUYJOECKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-7-8-9-15(23)16(12(2)3)20-17(24)14-10-13(22)11-21(14)18(25)26-19(4,5)6/h12-14,16,22H,7-11H2,1-6H3,(H,20,24).
What are the key properties of tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 370.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-[(2-methyl-4-oxooctan-3-yl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71029023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).