2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one

C13H24N2O2 — CID 58177858

IUPAC2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one
SMILESCC(C)NCC(=O)N1CCC[C@@H]1C(=O)C(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)13(17)11-6-5-7-15(11)12(16)8-14-10(3)4/h9-11,14H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyLVKOBJXSQZAWLB-LLVKDONJSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds5

About 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one

2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one (PubChem CID 58177858) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one
PubChem CID58177858
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one
SMILESCC(C)NCC(=O)N1CCC[C@@H]1C(=O)C(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)13(17)11-6-5-7-15(11)12(16)8-14-10(3)4/h9-11,14H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyLVKOBJXSQZAWLB-LLVKDONJSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one (CID 58177858) is 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one is CC(C)NCC(=O)N1CCC[C@@H]1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one?
The InChIKey is LVKOBJXSQZAWLB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)13(17)11-6-5-7-15(11)12(16)8-14-10(3)4/h9-11,14H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one?
2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 58177858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).