(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone

C14H20N2O — CID 103833251

IUPAC(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
SMILESCC1CC(C)N(C(=O)[C@H](N)c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-10-8-11(2)16(9-10)14(17)13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3/t10?,11?,13-/m1/s1
InChIKeyXZZMRYGQMKDRGH-GCZXYKMCSA-N
MW232.33 g/mol
LogP1.94
Rot. Bonds2

About (2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone

(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone (PubChem CID 103833251) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
PubChem CID103833251
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
SMILESCC1CC(C)N(C(=O)[C@H](N)c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-10-8-11(2)16(9-10)14(17)13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3/t10?,11?,13-/m1/s1
InChIKeyXZZMRYGQMKDRGH-GCZXYKMCSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-phenylethanone;hydrochloride
CID 119327754
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone
CID 54980977
(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 104899164
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 102883338
(2R)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 104876908
1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369260
1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one
CID 146518635
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
CID 117045936
2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 60945116

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone (CID 103833251) is (2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone is CC1CC(C)N(C(=O)[C@H](N)c2ccccc2)C1.
What is the InChIKey of (2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone?
The InChIKey is XZZMRYGQMKDRGH-GCZXYKMCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-8-11(2)16(9-10)14(17)13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3/t10?,11?,13-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone?
(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone has a molecular weight of 232.33 g/mol, XLogP of 1.94, 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-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 103833251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).