(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one

C14H20N2O2 — CID 178192247

IUPAC(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCOc1cccc([C@H]2[C@H](N)CC(=O)N2C(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)16-13(17)8-12(15)14(16)10-5-4-6-11(7-10)18-3/h4-7,9,12,14H,8,15H2,1-3H3/t12-,14+/m1/s1
InChIKeyGTJJLYMQCAPLPE-OCCSQVGLSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds3

About (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one

(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 178192247) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID178192247
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCOc1cccc([C@H]2[C@H](N)CC(=O)N2C(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)16-13(17)8-12(15)14(16)10-5-4-6-11(7-10)18-3/h4-7,9,12,14H,8,15H2,1-3H3/t12-,14+/m1/s1
InChIKeyGTJJLYMQCAPLPE-OCCSQVGLSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196562
5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
CID 82193447
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 82193066
4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 82193106
5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
3-(3-methoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 110457461
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674
4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one
CID 113469903
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one (CID 178192247) is (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one is COc1cccc([C@H]2[C@H](N)CC(=O)N2C(C)C)c1.
What is the InChIKey of (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is GTJJLYMQCAPLPE-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)16-13(17)8-12(15)14(16)10-5-4-6-11(7-10)18-3/h4-7,9,12,14H,8,15H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one?
(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 178192247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).