(2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide

C7H13FN2O — CID 89422782

IUPAC(2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CC[C@H](F)C1
InChIInChI=1S/C7H13FN2O/c1-5(7(9)11)10-3-2-6(8)4-10/h5-6H,2-4H2,1H3,(H2,9,11)/t5-,6+/m1/s1
InChIKeyDWOFYXASHJZPIZ-RITPCOANSA-N
MW160.19 g/mol
LogP-0.10
Rot. Bonds2

About (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide

(2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide (PubChem CID 89422782) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide
PubChem CID89422782
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CC[C@H](F)C1
InChIInChI=1S/C7H13FN2O/c1-5(7(9)11)10-3-2-6(8)4-10/h5-6H,2-4H2,1H3,(H2,9,11)/t5-,6+/m1/s1
InChIKeyDWOFYXASHJZPIZ-RITPCOANSA-N
XLogP-0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide (CID 89422782) is (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide is C[C@H](C(N)=O)N1CC[C@H](F)C1.
What is the InChIKey of (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide?
The InChIKey is DWOFYXASHJZPIZ-RITPCOANSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-5(7(9)11)10-3-2-6(8)4-10/h5-6H,2-4H2,1H3,(H2,9,11)/t5-,6+/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide?
(2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide has a molecular weight of 160.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide is sourced from PubChem (CID 89422782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).