(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

C15H22N2O — CID 124595969

IUPAC(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C15H22N2O/c1-10-6-4-5-7-14(10)13-8-11(2)17(9-13)15(18)12(3)16/h4-7,11-13H,8-9,16H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyZYJWGKORXCVAQI-JHJVBQTASA-N
MW246.35 g/mol
LogP2.05
Rot. Bonds2

About (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 124595969) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID124595969
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C15H22N2O/c1-10-6-4-5-7-14(10)13-8-11(2)17(9-13)15(18)12(3)16/h4-7,11-13H,8-9,16H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyZYJWGKORXCVAQI-JHJVBQTASA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 119331256
(2S)-2-amino-1-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688046
2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124693064
2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 119331230
2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124693628
[(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea
CID 97225022
(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314086
[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119331250
2-(4-aminophenyl)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124595059
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119331242
2-(4-aminophenyl)-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119042669
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119331241

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one (CID 124595969) is (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one is Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)N)C1.
What is the InChIKey of (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is ZYJWGKORXCVAQI-JHJVBQTASA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-4-5-7-14(10)13-8-11(2)17(9-13)15(18)12(3)16/h4-7,11-13H,8-9,16H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124595969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).