(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one

C14H20N2O — CID 79023414

IUPAC(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-2-13(15)14(17)16-9-8-12(10-16)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10,15H2,1H3/t12?,13-/m0/s1
InChIKeyKZKKVJGZYADBFJ-ABLWVSNPSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds3

About (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one

(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one (PubChem CID 79023414) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
PubChem CID79023414
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-2-13(15)14(17)16-9-8-12(10-16)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10,15H2,1H3/t12?,13-/m0/s1
InChIKeyKZKKVJGZYADBFJ-ABLWVSNPSA-N
XLogP1.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 81088436
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119290269
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122
(2S)-2-amino-4-methyl-1-(4-phenylazepan-1-yl)pentan-1-one;hydrochloride
CID 119770865
2,2-diphenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910235
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one (CID 79023414) is (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one is CC[C@H](N)C(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one?
The InChIKey is KZKKVJGZYADBFJ-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-13(15)14(17)16-9-8-12(10-16)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10,15H2,1H3/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one?
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one has a molecular weight of 232.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 79023414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).