1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

C14H19N3O2 — CID 72921217

IUPAC1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESN[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1C1CC1
InChIInChI=1S/C14H19N3O2/c15-12-8-17(7-11(12)10-4-5-10)14(19)9-16-6-2-1-3-13(16)18/h1-3,6,10-12H,4-5,7-9,15H2/t11-,12+/m1/s1
InChIKeyXLADPVWXGUMLGG-NEPJUHHUSA-N
MW261.32 g/mol
LogP0.04
Rot. Bonds3

About 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 72921217) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID72921217
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESN[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1C1CC1
InChIInChI=1S/C14H19N3O2/c15-12-8-17(7-11(12)10-4-5-10)14(19)9-16-6-2-1-3-13(16)18/h1-3,6,10-12H,4-5,7-9,15H2/t11-,12+/m1/s1
InChIKeyXLADPVWXGUMLGG-NEPJUHHUSA-N
XLogP0.04
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 72921217) is 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is N[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1C1CC1.
What is the InChIKey of 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is XLADPVWXGUMLGG-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-12-8-17(7-11(12)10-4-5-10)14(19)9-16-6-2-1-3-13(16)18/h1-3,6,10-12H,4-5,7-9,15H2/t11-,12+/m1/s1.
What are the key properties of 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 72921217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).