2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate

C16H20FNO3 — CID 91711962

IUPAC2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCC(C)COC(=O)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11(2)10-21-16(20)14-8-5-9-18(14)15(19)12-6-3-4-7-13(12)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyGYVYOKAEZIJLQB-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.63
Rot. Bonds4

About 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate

2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate (PubChem CID 91711962) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
PubChem CID91711962
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCC(C)COC(=O)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11(2)10-21-16(20)14-8-5-9-18(14)15(19)12-6-3-4-7-13(12)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyGYVYOKAEZIJLQB-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzoylpyrrolidine-2-carboxylic acid
CID 294890
(2S)-1-benzoylpyrrolidine-2-carboxylic acid
CID 6988239
4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
Methyl 2-[(4-fluorophenyl)carbonylamino]-4-methylpentanoate
CID 2915918
methyl (2S)-4-methyl-2-(3-oxo-1,2-benzoselenazol-2-yl)pentanoate
CID 10782348
methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoate
CID 11834480
(R)-1-[3-((S)-2-Cyclopentanecarbonyl-pyrrolidine-1-carbonyl)-benzoyl]-pyrrolidine-2-carboxylic acid methyl ester
CID 44360018
methyl (2R)-4-methyl-2-(3-oxo-1,2-benzoselenazol-2-yl)pentanoate
CID 155533669
methyl (2S)-3-methyl-2-(3-oxo-1,2-benzoselenazol-2-yl)pentanoate
CID 155559546
Methyl 1-benzoyl-5-thioxo-2-pyrrolidinecarboxylate
CID 392799
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (2S)-2-benzamido-3-methylbutanoate
CID 16240946
(S)-methyl 5-(4-fluorobenzamido)-6-morpholino-6-oxohexanoate
CID 117859136

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate (CID 91711962) is 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate is CC(C)COC(=O)C1CCCN1C(=O)c1ccccc1F.
What is the InChIKey of 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is GYVYOKAEZIJLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(2)10-21-16(20)14-8-5-9-18(14)15(19)12-6-3-4-7-13(12)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3.
What are the key properties of 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91711962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).