tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate

C14H25NO5 — CID 134975397

IUPACtert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)C(C)C(O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-9(12(17)19-5)11(16)10-7-6-8-15(10)13(18)20-14(2,3)4/h9-11,16H,6-8H2,1-5H3/t9?,10-,11?/m0/s1
InChIKeyYESVEVMVKPHDFA-YVNMAJEFSA-N
MW287.36 g/mol
LogP1.56
Rot. Bonds3

About tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 134975397) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID134975397
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)C(C)C(O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-9(12(17)19-5)11(16)10-7-6-8-15(10)13(18)20-14(2,3)4/h9-11,16H,6-8H2,1-5H3/t9?,10-,11?/m0/s1
InChIKeyYESVEVMVKPHDFA-YVNMAJEFSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-3-((2S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid
CID 11033491
tert-Butyl (S)-2-((1R,2R)-1,3-dimethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 90790440
(2R)-2-[(4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]-2-fluoroacetic acid
CID 139048186
(2R,3R)-3-((S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 10659844
N-Boc-dolaproine-methyl
CID 11346731
tert-Butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate
CID 67269775
3-methoxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 132187589
tert-butyl (2S)-2-[(1R,2R)-3-fluoro-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
CID 53356198
(2R,3R)-3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 122494673
(2R,3R)-3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-hydroxy-2-methylpropanoic acid
CID 122494704
3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 122494705
(2R,3R)-3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-hydroxy-2-methylbutanoic acid
CID 132187486

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate (CID 134975397) is tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate is COC(=O)C(C)C(O)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is YESVEVMVKPHDFA-YVNMAJEFSA-N. The full InChI is InChI=1S/C14H25NO5/c1-9(12(17)19-5)11(16)10-7-6-8-15(10)13(18)20-14(2,3)4/h9-11,16H,6-8H2,1-5H3/t9?,10-,11?/m0/s1.
What are the key properties of tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 134975397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).