(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one

C14H20N2O — CID 119288516

IUPAC(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cccc(C2CCCN2C(=O)[C@H](C)N)c1
InChIInChI=1S/C14H20N2O/c1-10-5-3-6-12(9-10)13-7-4-8-16(13)14(17)11(2)15/h3,5-6,9,11,13H,4,7-8,15H2,1-2H3/t11-,13?/m0/s1
InChIKeyBWSJGJUVPMFPSQ-AMGKYWFPSA-N
MW232.33 g/mol
LogP2.01
Rot. Bonds2

About (2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one

(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 119288516) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID119288516
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cccc(C2CCCN2C(=O)[C@H](C)N)c1
InChIInChI=1S/C14H20N2O/c1-10-5-3-6-12(9-10)13-7-4-8-16(13)14(17)11(2)15/h3,5-6,9,11,13H,4,7-8,15H2,1-2H3/t11-,13?/m0/s1
InChIKeyBWSJGJUVPMFPSQ-AMGKYWFPSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-1-[2-(3-methylphenyl)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

2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120986995
(2R)-2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]propan-1-one;2-methylpropanenitrile
CID 145446747
2,3-dihydroxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-one
CID 143154677
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
(2R)-2-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270155
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one (CID 119288516) is (2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one is Cc1cccc(C2CCCN2C(=O)[C@H](C)N)c1.
What is the InChIKey of (2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is BWSJGJUVPMFPSQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-5-3-6-12(9-10)13-7-4-8-16(13)14(17)11(2)15/h3,5-6,9,11,13H,4,7-8,15H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.01, 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-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 119288516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).