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

C15H24FNO5 — CID 69416182

IUPAC5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1COCCC=CC(=O)O
InChIInChI=1S/C15H24FNO5/c1-15(2,3)22-14(20)17-9-11(16)8-12(17)10-21-7-5-4-6-13(18)19/h4,6,11-12H,5,7-10H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyAKJPLALFVMPIOD-RYUDHWBXSA-N
MW317.36 g/mol
LogP2.38
Rot. Bonds6

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

5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid (PubChem CID 69416182) has the molecular formula C15H24FNO5 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid.

Molecular Properties

Compound Name5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid
PubChem CID69416182
Molecular FormulaC15H24FNO5
Molecular Weight317.36 g/mol
Exact Mass317.16
IUPAC Name5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1COCCC=CC(=O)O
InChIInChI=1S/C15H24FNO5/c1-15(2,3)22-14(20)17-9-11(16)8-12(17)10-21-7-5-4-6-13(18)19/h4,6,11-12H,5,7-10H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyAKJPLALFVMPIOD-RYUDHWBXSA-N
XLogP2.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]prop-2-enoic acid
CID 134963703
tert-butyl 4-[(Z)-4-fluoro-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 60033081
tert-butyl (4S)-4-[(Z)-4-fluoro-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 60083589
Methyl (E)-6-((2S,4S)-1-(tert-butoxycarbonyl)-4-fluoro-2-pyrrolidinylmethoxy)-2-hexenoate
CID 67404444
6-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]-2-methylhex-2-enoic acid
CID 67404448
Methyl (e)-5-((2s,4s)-1-(tert-butoxycarbonyl)-4-fluoro-2-pyrrolidinylmethoxy)-2-pentenoate
CID 67405296
Methyl 5-((2S,4S)-1-(tert-butoxycarbonyl)-4-fluoro-2-pyrrolidinylmethoxy)-2-pentenoate
CID 67405299
Methyl 6-((2S,4S)-1-(tert-butoxycarbonyl)-4-fluoro-2-pyrrolidinylmethoxy)hexenoate
CID 67405408
5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]-2-methylpent-2-enoic acid
CID 67407850
(E)-5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid
CID 69416175
(E)-6-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]hex-2-enoic acid
CID 69417781
6-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]hex-2-enoic acid
CID 69417784

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid?
The IUPAC name of 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid (CID 69416182) is 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid.
What is the SMILES notation for 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid?
The canonical SMILES for 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid is CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1COCCC=CC(=O)O.
What is the InChIKey of 5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid?
The InChIKey is AKJPLALFVMPIOD-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24FNO5/c1-15(2,3)22-14(20)17-9-11(16)8-12(17)10-21-7-5-4-6-13(18)19/h4,6,11-12H,5,7-10H2,1-3H3,(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]pent-2-enoic acid?
5-[[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]pent-2-enoic acid has a molecular weight of 317.36 g/mol, XLogP of 2.38, 6 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]pent-2-enoic acid is sourced from PubChem (CID 69416182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).