2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate

C17H23FN2O4 — CID 5238551

IUPAC2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCc1ccc(F)cc1NC(=O)C1CC(O)CN1C(=O)OCC(C)C
InChIInChI=1S/C17H23FN2O4/c1-10(2)9-24-17(23)20-8-13(21)7-15(20)16(22)19-14-6-12(18)5-4-11(14)3/h4-6,10,13,15,21H,7-9H2,1-3H3,(H,19,22)
InChIKeyOMTCSMHLFFDIBF-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.30
Rot. Bonds4

About 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate

2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 5238551) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
PubChem CID5238551
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCc1ccc(F)cc1NC(=O)C1CC(O)CN1C(=O)OCC(C)C
InChIInChI=1S/C17H23FN2O4/c1-10(2)9-24-17(23)20-8-13(21)7-15(20)16(22)19-14-6-12(18)5-4-11(14)3/h4-6,10,13,15,21H,7-9H2,1-3H3,(H,19,22)
InChIKeyOMTCSMHLFFDIBF-UHFFFAOYSA-N
XLogP2.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate (CID 5238551) is 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate is Cc1ccc(F)cc1NC(=O)C1CC(O)CN1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is OMTCSMHLFFDIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-10(2)9-24-17(23)20-8-13(21)7-15(20)16(22)19-14-6-12(18)5-4-11(14)3/h4-6,10,13,15,21H,7-9H2,1-3H3,(H,19,22).
What are the key properties of 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 338.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 5238551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).