2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide

C13H19N3O — CID 114263437

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-9(13(15)17)16-7-11(12(14)8-16)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,14H2,1H3,(H2,15,17)/t9?,11-,12+/m0/s1
InChIKeyQTFRVQDZQIUOFZ-CLGJWYQZSA-N
MW233.31 g/mol
LogP0.29
Rot. Bonds3

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide (PubChem CID 114263437) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide
PubChem CID114263437
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-9(13(15)17)16-7-11(12(14)8-16)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,14H2,1H3,(H2,15,17)/t9?,11-,12+/m0/s1
InChIKeyQTFRVQDZQIUOFZ-CLGJWYQZSA-N
XLogP0.29
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide (CID 114263437) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide is CC(C(N)=O)N1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide?
The InChIKey is QTFRVQDZQIUOFZ-CLGJWYQZSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(13(15)17)16-7-11(12(14)8-16)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,14H2,1H3,(H2,15,17)/t9?,11-,12+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide has a molecular weight of 233.31 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 114263437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).