(3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide

C14H19FN4O2 — CID 129356218

IUPAC(3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H19FN4O2/c15-10-7-16-13(17-8-10)21-12-5-6-19(9-12)14(20)18-11-3-1-2-4-11/h7-8,11-12H,1-6,9H2,(H,18,20)/t12-/m0/s1
InChIKeyVLJMFTLBQSAELH-LBPRGKRZSA-N
MW294.33 g/mol
LogP1.72
Rot. Bonds3

About (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide

(3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide (PubChem CID 129356218) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide
PubChem CID129356218
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name(3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H19FN4O2/c15-10-7-16-13(17-8-10)21-12-5-6-19(9-12)14(20)18-11-3-1-2-4-11/h7-8,11-12H,1-6,9H2,(H,18,20)/t12-/m0/s1
InChIKeyVLJMFTLBQSAELH-LBPRGKRZSA-N
XLogP1.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide (CID 129356218) is (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide is O=C(NC1CCCC1)N1CC[C@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is VLJMFTLBQSAELH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19FN4O2/c15-10-7-16-13(17-8-10)21-12-5-6-19(9-12)14(20)18-11-3-1-2-4-11/h7-8,11-12H,1-6,9H2,(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide?
(3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 129356218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).