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

C14H26N2O2 — CID 58177906

IUPAC2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one
SMILESCC(C)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)C(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)13(17)12-7-6-8-16(12)14(18)11(5)15-10(3)4/h9-12,15H,6-8H2,1-5H3/t11-,12-/m1/s1
InChIKeyKKEIMQVUIQZFEB-VXGBXAGGSA-N
MW254.37 g/mol
LogP1.59
Rot. Bonds5

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

2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one (PubChem CID 58177906) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one
PubChem CID58177906
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one
SMILESCC(C)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)C(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)13(17)12-7-6-8-16(12)14(18)11(5)15-10(3)4/h9-12,15H,6-8H2,1-5H3/t11-,12-/m1/s1
InChIKeyKKEIMQVUIQZFEB-VXGBXAGGSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.59
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-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one (CID 58177906) is 2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one is CC(C)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one?
The InChIKey is KKEIMQVUIQZFEB-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9(2)13(17)12-7-6-8-16(12)14(18)11(5)15-10(3)4/h9-12,15H,6-8H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one?
2-methyl-1-[(2R)-1-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.59, 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-[(2R)-2-(propan-2-ylamino)propanoyl]pyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 58177906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).