(3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide

C7H13FN2O — CID 57605997

IUPAC(3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide
SMILESC1CNC[C@H]1C(=O)NCCF
InChIInChI=1S/C7H13FN2O/c8-2-4-10-7(11)6-1-3-9-5-6/h6,9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyXPAVNDKBZTZUBA-LURJTMIESA-N
MW160.19 g/mol
LogP-0.40
Rot. Bonds3

About (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide

(3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 57605997) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide
PubChem CID57605997
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide
SMILESC1CNC[C@H]1C(=O)NCCF
InChIInChI=1S/C7H13FN2O/c8-2-4-10-7(11)6-1-3-9-5-6/h6,9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyXPAVNDKBZTZUBA-LURJTMIESA-N
XLogP-0.40
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity140

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide (CID 57605997) is (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide is C1CNC[C@H]1C(=O)NCCF.
What is the InChIKey of (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is XPAVNDKBZTZUBA-LURJTMIESA-N. The full InChI is InChI=1S/C7H13FN2O/c8-2-4-10-7(11)6-1-3-9-5-6/h6,9H,1-5H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide?
(3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 160.19 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 57605997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).