(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one

C14H20N2O2 — CID 103532839

IUPAC(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
SMILESCOC1CCN(C(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-12-7-8-16(10-12)14(17)13(15)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3/t12?,13-/m1/s1
InChIKeyGUSJMQDAVXGTFH-ZGTCLIOFSA-N
MW248.33 g/mol
LogP0.80
Rot. Bonds4

About (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one

(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one (PubChem CID 103532839) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
PubChem CID103532839
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
SMILESCOC1CCN(C(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-12-7-8-16(10-12)14(17)13(15)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3/t12?,13-/m1/s1
InChIKeyGUSJMQDAVXGTFH-ZGTCLIOFSA-N
XLogP0.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 103533022
(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124681786
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
CID 104983889
2-benzyl-3-(3-methoxypyrrolidin-1-yl)-3-oxopropanenitrile
CID 103533299
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103533196
methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
CID 70099178
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
1-(4-methoxypiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107022640
(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119292093
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one (CID 103532839) is (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one is COC1CCN(C(=O)[C@H](N)Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is GUSJMQDAVXGTFH-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-12-7-8-16(10-12)14(17)13(15)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3/t12?,13-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one?
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 103532839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).