5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid

C15H26FNO5 — CID 141053603

IUPAC5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1COCCCCC(=O)O
InChIInChI=1S/C15H26FNO5/c1-15(2,3)22-14(20)17-9-11(16)8-12(17)10-21-7-5-4-6-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyODJLLPYYRCMCFG-RYUDHWBXSA-N
MW319.37 g/mol
LogP2.61
Rot. Bonds7

About 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid

5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid (PubChem CID 141053603) has the molecular formula C15H26FNO5 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid.

Molecular Properties

Compound Name5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid
PubChem CID141053603
Molecular FormulaC15H26FNO5
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1COCCCCC(=O)O
InChIInChI=1S/C15H26FNO5/c1-15(2,3)22-14(20)17-9-11(16)8-12(17)10-21-7-5-4-6-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyODJLLPYYRCMCFG-RYUDHWBXSA-N
XLogP2.61
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-1-((tert-butoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 2756017
(2S,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 12043048
(2R,4R)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 9877997
(2R,4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 9942734
(2S)-1-tert-Butyl 2-ethyl 5-methoxypyrrolidine-1,2-dicarboxylate
CID 10445972
(2S)-1-tert-Butyl 2-ethyl 5-hydroxypyrrolidine-1,2-dicarboxylate
CID 10801244
(S)-3-(3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-4-yl)propanoic acid
CID 10635974
N-boc-5-hydroxy-l-proline
CID 10751976
1-(1,1-Dimethylethyl) 2-methyl (2S)-5-methoxy-1,2-pyrrolidinedicarboxylate
CID 10912231
1-tert-Butyl 2-methyl (2S)-5-hydroxypyrrolidine-1,2-dicarboxylate
CID 10944689
Ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate
CID 74950736
1-(Tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 4712523

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid?
The IUPAC name of 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid (CID 141053603) is 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid.
What is the SMILES notation for 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid?
The canonical SMILES for 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid is CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1COCCCCC(=O)O.
What is the InChIKey of 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid?
The InChIKey is ODJLLPYYRCMCFG-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H26FNO5/c1-15(2,3)22-14(20)17-9-11(16)8-12(17)10-21-7-5-4-6-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid?
5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid has a molecular weight of 319.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pentanoic acid is sourced from PubChem (CID 141053603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).