2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one

C11H22N2O — CID 135299968

IUPAC2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1C(C(C)C)CC[C@H]1C
InChIInChI=1S/C11H22N2O/c1-7(2)10-6-5-8(3)13(10)11(14)9(4)12/h7-10H,5-6,12H2,1-4H3/t8-,9?,10?/m1/s1
InChIKeySFLMLYMPFDKQRG-XNWIYYODSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one

2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 135299968) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID135299968
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1C(C(C)C)CC[C@H]1C
InChIInChI=1S/C11H22N2O/c1-7(2)10-6-5-8(3)13(10)11(14)9(4)12/h7-10H,5-6,12H2,1-4H3/t8-,9?,10?/m1/s1
InChIKeySFLMLYMPFDKQRG-XNWIYYODSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one (CID 135299968) is 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one is CC(N)C(=O)N1C(C(C)C)CC[C@H]1C.
What is the InChIKey of 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is SFLMLYMPFDKQRG-XNWIYYODSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7(2)10-6-5-8(3)13(10)11(14)9(4)12/h7-10H,5-6,12H2,1-4H3/t8-,9?,10?/m1/s1.
What are the key properties of 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one?
2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 135299968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).