2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone

C13H18N2O2 — CID 106312840

IUPAC2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)12(14)13(17)15-7-6-11(16)8-15/h2-5,11-12,16H,6-8,14H2,1H3/t11-,12?/m1/s1
InChIKeyUJPNERPFDRZVGC-JHJMLUEUSA-N
MW234.30 g/mol
LogP0.59
Rot. Bonds2

About 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 106312840) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID106312840
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)12(14)13(17)15-7-6-11(16)8-15/h2-5,11-12,16H,6-8,14H2,1H3/t11-,12?/m1/s1
InChIKeyUJPNERPFDRZVGC-JHJMLUEUSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151707
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668435
2-amino-2-(4-methylphenyl)-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethanone
CID 120668987
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 62916587
2-amino-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668374
2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120670473
2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667028
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106312428

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone (CID 106312840) is 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(C(N)C(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is UJPNERPFDRZVGC-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)12(14)13(17)15-7-6-11(16)8-15/h2-5,11-12,16H,6-8,14H2,1H3/t11-,12?/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 106312840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).