2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate

C16H21FN2O3 — CID 126009168

IUPAC2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-11(2)10-22-16(21)19-9-5-8-14(19)15(20)18-13-7-4-3-6-12(13)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyOPTOYCOAULEYGV-AWEZNQCLSA-N
MW308.35 g/mol
LogP3.02
Rot. Bonds4

About 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate

2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 126009168) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID126009168
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-11(2)10-22-16(21)19-9-5-8-14(19)15(20)18-13-7-4-3-6-12(13)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyOPTOYCOAULEYGV-AWEZNQCLSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126004824
2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4317281
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299
2-methylpropyl 2-[(3-bromo-4-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 5188630
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
benzyl 2-[(2-fluoro-4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 69025622
methyl 2-[(2-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754602
9H-fluoren-9-ylmethyl (2S)-2-[[2-(methylamino)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 59454334
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 110754577

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 126009168) is 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate is CC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1F.
What is the InChIKey of 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is OPTOYCOAULEYGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(2)10-22-16(21)19-9-5-8-14(19)15(20)18-13-7-4-3-6-12(13)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate?
2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 308.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 126009168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).