1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone

C7H14N2O — CID 70192630

IUPAC1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](N)CN1C
InChIInChI=1S/C7H14N2O/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4,8H2,1-2H3/t6-,7-/m1/s1
InChIKeySMQDBPCEYJSYEL-RNFRBKRXSA-N
MW142.20 g/mol
LogP-0.39
Rot. Bonds1

About 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone

1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 70192630) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
PubChem CID70192630
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](N)CN1C
InChIInChI=1S/C7H14N2O/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4,8H2,1-2H3/t6-,7-/m1/s1
InChIKeySMQDBPCEYJSYEL-RNFRBKRXSA-N
XLogP-0.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
CID 59918461
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
CID 59902800
1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366301
ethyl 4-amino-1-methylpyrrolidine-2-carboxylate
CID 20763173
1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone
CID 20660431
1-[4-(dimethylamino)-1-methylpyrrolidin-2-yl]ethanone
CID 20647920
1-[(2S,4R)-4-ethenyl-1-methylpyrrolidin-2-yl]ethanone
CID 157025794
CID 174135760
CID 174135760
1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 20737880
3-acetyl-2-methyl-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-one
CID 20820154
(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 118760260

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone (CID 70192630) is 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone is CC(=O)[C@H]1C[C@@H](N)CN1C.
What is the InChIKey of 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is SMQDBPCEYJSYEL-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4,8H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone?
1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 142.20 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 70192630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).