(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one

C16H24N2O — CID 119331256

IUPAC(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CC(c2ccccc2C)CC1C
InChIInChI=1S/C16H24N2O/c1-4-15(17)16(19)18-10-13(9-12(18)3)14-8-6-5-7-11(14)2/h5-8,12-13,15H,4,9-10,17H2,1-3H3/t12?,13?,15-/m0/s1
InChIKeyRMHVRTBOWQQXIN-PIMMBPRGSA-N
MW260.38 g/mol
LogP2.44
Rot. Bonds3

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

(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 119331256) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
PubChem CID119331256
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CC(c2ccccc2C)CC1C
InChIInChI=1S/C16H24N2O/c1-4-15(17)16(19)18-10-13(9-12(18)3)14-8-6-5-7-11(14)2/h5-8,12-13,15H,4,9-10,17H2,1-3H3/t12?,13?,15-/m0/s1
InChIKeyRMHVRTBOWQQXIN-PIMMBPRGSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688046
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124595969
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
[(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea
CID 97225022
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
(2R)-2-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butanoic acid
CID 124829667
2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124693628
2-amino-1-(2,4-dimethylpyrrolidin-1-yl)butan-1-one
CID 115734693
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
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one (CID 119331256) is (2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one is CC[C@H](N)C(=O)N1CC(c2ccccc2C)CC1C.
What is the InChIKey of (2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is RMHVRTBOWQQXIN-PIMMBPRGSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-15(17)16(19)18-10-13(9-12(18)3)14-8-6-5-7-11(14)2/h5-8,12-13,15H,4,9-10,17H2,1-3H3/t12?,13?,15-/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one?
(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 119331256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).