(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one

C13H17BrN2O — CID 124568245

IUPAC(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c1-9(15)13(17)16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,9,12H,4,7-8,15H2,1H3/t9-,12+/m0/s1
InChIKeyKOFREQMPEVLWAK-JOYOIKCWSA-N
MW297.20 g/mol
LogP2.46
Rot. Bonds2

About (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one

(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 124568245) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID124568245
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c1-9(15)13(17)16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,9,12H,4,7-8,15H2,1H3/t9-,12+/m0/s1
InChIKeyKOFREQMPEVLWAK-JOYOIKCWSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]propan-1-one
CID 119314970
(2R)-2-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314979
2-amino-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872447
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120500295
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 120873617
3-chloro-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62727780
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
3-chloro-2-methyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 62727967
4-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497807
3-amino-1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119800961

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one (CID 124568245) is (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Br.
What is the InChIKey of (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is KOFREQMPEVLWAK-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9(15)13(17)16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,9,12H,4,7-8,15H2,1H3/t9-,12+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one?
(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 297.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124568245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).