tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate

C12H21NO3 — CID 146165269

IUPACtert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CCC1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-5-6-9-7-10(14)8-13(9)11(15)16-12(2,3)4/h5,9-10,14H,1,6-8H2,2-4H3/t9?,10-/m1/s1
InChIKeyFYZIMNZTALPMDK-QVDQXJPCSA-N
MW227.30 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 146165269) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID146165269
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CCC1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-5-6-9-7-10(14)8-13(9)11(15)16-12(2,3)4/h5,9-10,14H,1,6-8H2,2-4H3/t9?,10-/m1/s1
InChIKeyFYZIMNZTALPMDK-QVDQXJPCSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-(hydroxymethyl)-2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
CID 10966669
tert-butyl (2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carboxylate
CID 66733597
(3R,4S)-tert-Butyl 3-allyl-4-hydroxypyrrolidine-1-carboxylate
CID 86335709
tert-butyl (2S,4R)-4-hydroxy-2-(oct-7-enoxymethyl)pyrrolidine-1-carboxylate
CID 145977658
tert-butyl (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10107242
tert-butyl (2S,4R)-2-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 99889425
tert-butyl (4S)-4-[(1R)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10468424
tert-butyl (4R)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11119194
trans-1-Boc-4-vinylpyrrolidin-3-ol
CID 11344900
tert-butyl (4S)-4-(1-hydroxybut-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15213827
tert-butyl (4S)-4-[(1R)-1-hydroxypent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10968083
tert-butyl (2R)-2-[(1R)-1-hydroxyprop-2-enyl]pyrrolidine-1-carboxylate
CID 15939100

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate (CID 146165269) is tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate is C=CCC1C[C@@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is FYZIMNZTALPMDK-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-6-9-7-10(14)8-13(9)11(15)16-12(2,3)4/h5,9-10,14H,1,6-8H2,2-4H3/t9?,10-/m1/s1.
What are the key properties of tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 146165269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).