2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate

C9H14FNO3 — CID 155555563

IUPAC2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate
SMILESCC(=O)N1CCC[C@H]1C(=O)OCCF
InChIInChI=1S/C9H14FNO3/c1-7(12)11-5-2-3-8(11)9(13)14-6-4-10/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyOQASVCYRTIKXOZ-QMMMGPOBSA-N
MW203.21 g/mol
LogP0.51
Rot. Bonds3

About 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate

2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate (PubChem CID 155555563) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate
PubChem CID155555563
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Name2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate
SMILESCC(=O)N1CCC[C@H]1C(=O)OCCF
InChIInChI=1S/C9H14FNO3/c1-7(12)11-5-2-3-8(11)9(13)14-6-4-10/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyOQASVCYRTIKXOZ-QMMMGPOBSA-N
XLogP0.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl (2S)-1-methyl-5-oxoprolinate
CID 12361160
Methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
(S)-Methyl 1-methylpyrrolidine-2-carboxylate
CID 10920622
Ethyl (S)-(-)-1-Ethyl-2-pyrrolidinecarboxylate
CID 10942897
Boc-DL-Proline ethyl ester
CID 12195585
Ethyl (R)-(+)-1-Ethyl-2-pyrrolidinecarboxylate
CID 44630281
(S)-1-Acetyl-pyrrolidine-2-carboxylic acid ethyl ester
CID 969011
Methyl (S)-1-(ethoxycarbonyl)pyrrolidine-2-carboxylate
CID 11084871
Methyl 1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate
CID 22257828
Proline, trifluoroacetyl-isopropyl ester
CID 529799
L-5-oxoproline methyl ester
CID 566571
1,2-Dimethyl pyrrolidine-1,2-dicarboxylate
CID 13757329

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate?
The IUPAC name of 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate (CID 155555563) is 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate.
What is the SMILES notation for 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate?
The canonical SMILES for 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate is CC(=O)N1CCC[C@H]1C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate?
The InChIKey is OQASVCYRTIKXOZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14FNO3/c1-7(12)11-5-2-3-8(11)9(13)14-6-4-10/h8H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate?
2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate has a molecular weight of 203.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate is sourced from PubChem (CID 155555563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).