methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate

C11H20FNO3 — CID 58778388

IUPACmethyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate
SMILESCOC(=O)CCCCOC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C11H20FNO3/c1-15-11(14)4-2-3-5-16-8-10-6-9(12)7-13-10/h9-10,13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyIVBNVXPCRIKDHC-UWVGGRQHSA-N
MW233.28 g/mol
LogP1.05
Rot. Bonds7

About methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate

methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate (PubChem CID 58778388) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate
PubChem CID58778388
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Namemethyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate
SMILESCOC(=O)CCCCOC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C11H20FNO3/c1-15-11(14)4-2-3-5-16-8-10-6-9(12)7-13-10/h9-10,13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyIVBNVXPCRIKDHC-UWVGGRQHSA-N
XLogP1.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.05
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

fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium
CID 170721391
(S)-Propyl pyrrolidine-2-carboxylate
CID 11658327
ethyl (2S,4S)-4-fluoropyrrolidine-2-carboxylate hydrochloride
CID 137966014
Proline butyl ester
CID 13783331
Methyl 6-[(4-fluoropyrrolidin-2-yl)methoxy]hexanoate
CID 17859474
Ethyl 4-fluoropyrrolidine-2-carboxylate
CID 22294109
(2S,4S)-Ethyl 4-fluoropyrrolidine-2-carboxylate
CID 45082398
methyl 3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]propanoate
CID 58778406
methyl 5-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pentanoate
CID 58778727
methyl 6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]hexanoate
CID 58778912
ethyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate
CID 69064765
ethyl (2S)-4-fluoropyrrolidine-2-carboxylate
CID 69743321

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate?
The IUPAC name of methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate (CID 58778388) is methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate.
What is the SMILES notation for methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate?
The canonical SMILES for methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate is COC(=O)CCCCOC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate?
The InChIKey is IVBNVXPCRIKDHC-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-15-11(14)4-2-3-5-16-8-10-6-9(12)7-13-10/h9-10,13H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate?
methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate has a molecular weight of 233.28 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]pentanoate is sourced from PubChem (CID 58778388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).