1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride

C13H19ClN2O2 — CID 119413072

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
SMILESCOC(C(=O)N1CC[C@@H](N)C1)c1ccccc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-12(10-5-3-2-4-6-10)13(16)15-8-7-11(14)9-15;/h2-6,11-12H,7-9,14H2,1H3;1H/t11-,12?;/m1./s1
InChIKeyCFKPYFYSSMEEFO-BAVFUAOSSA-N
MW270.76 g/mol
LogP1.36
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride

1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride (PubChem CID 119413072) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
PubChem CID119413072
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
SMILESCOC(C(=O)N1CC[C@@H](N)C1)c1ccccc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-12(10-5-3-2-4-6-10)13(16)15-8-7-11(14)9-15;/h2-6,11-12H,7-9,14H2,1H3;1H/t11-,12?;/m1./s1
InChIKeyCFKPYFYSSMEEFO-BAVFUAOSSA-N
XLogP1.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride
CID 119592553
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
(2S)-1-[(3S,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 98856814
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
CID 115302102
1-(3-aminopyrrolidin-1-yl)-2-hydroxy-2-phenylethanone
CID 62068275
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3-bromophenoxy)-2-phenylethanone;hydrochloride
CID 119412168
(2R)-2-(4-hydroxyphenyl)-2-methoxy-1-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethanone
CID 99784449
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone
CID 124593206

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride (CID 119413072) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride is COC(C(=O)N1CC[C@@H](N)C1)c1ccccc1.Cl.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride?
The InChIKey is CFKPYFYSSMEEFO-BAVFUAOSSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-17-12(10-5-3-2-4-6-10)13(16)15-8-7-11(14)9-15;/h2-6,11-12H,7-9,14H2,1H3;1H/t11-,12?;/m1./s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119413072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).