tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate

C18H27FN2O3 — CID 155694855

IUPACtert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
SMILESCCC[C@@H]1CC[C@H]([C@H](O)c2cncc(F)c2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H27FN2O3/c1-5-6-14-7-8-15(21(14)17(23)24-18(2,3)4)16(22)12-9-13(19)11-20-10-12/h9-11,14-16,22H,5-8H2,1-4H3/t14-,15-,16-/m1/s1
InChIKeyUDFBFAOZNXNSBS-BZUAXINKSA-N
MW338.42 g/mol
LogP3.82
Rot. Bonds4

About tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate

tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate (PubChem CID 155694855) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
PubChem CID155694855
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Nametert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
SMILESCCC[C@@H]1CC[C@H]([C@H](O)c2cncc(F)c2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H27FN2O3/c1-5-6-14-7-8-15(21(14)17(23)24-18(2,3)4)16(22)12-9-13(19)11-20-10-12/h9-11,14-16,22H,5-8H2,1-4H3/t14-,15-,16-/m1/s1
InChIKeyUDFBFAOZNXNSBS-BZUAXINKSA-N
XLogP3.82
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2R,5R)-2-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
CID 175179250
(2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid
CID 155127712
(2R,7R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-7-propylazepane-1-carboxylic acid
CID 155127622
(2S,5R)-2-[(3-fluorophenyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylic acid
CID 155074663
tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[[(2S)-2-methylbutanoyl]amino]phenyl]methyl]pyrrolidine-1-carboxylate
CID 58125229
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate
CID 155694850
tert-butyl (2S,5R)-2-[(4-aminophenyl)methyl]-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5R)-2-[(4-aminophenyl)methyl]-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
CID 159025336
tert-butyl 3-[1-(5-fluoro-3-pyridinyl)ethylamino]azetidine-1-carboxylate
CID 103788166
benzyl (2R,5R)-2-[(R)-(3-fluorophenyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate;benzyl (2R,5R)-2-formyl-5-propylpyrrolidine-1-carboxylate
CID 157137269
5-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid
CID 126708218
tert-butyl (2R,5S)-2-[(R)-hydroxy(phenyl)methyl]-5-[(4-nitrophenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5R)-2-[(R)-hydroxy(phenyl)methyl]-5-[(4-nitrophenyl)methyl]pyrrolidine-1-carboxylate
CID 159009026
tert-butyl (2S,5S)-2-[(S)-(3,4-dichlorophenyl)-hydroxymethyl]-5-methylpyrrolidine-1-carboxylate
CID 70166665

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate (CID 155694855) is tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate is CCC[C@@H]1CC[C@H]([C@H](O)c2cncc(F)c2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate?
The InChIKey is UDFBFAOZNXNSBS-BZUAXINKSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-5-6-14-7-8-15(21(14)17(23)24-18(2,3)4)16(22)12-9-13(19)11-20-10-12/h9-11,14-16,22H,5-8H2,1-4H3/t14-,15-,16-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate?
tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate has a molecular weight of 338.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate is sourced from PubChem (CID 155694855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).