2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide

C17H29N3O2 — CID 129426759

IUPAC2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N[C@H](C)C1CC1
InChIInChI=1S/C17H29N3O2/c1-12(14-7-8-14)18-17(22)11-19-9-3-5-15(19)16-6-4-10-20(16)13(2)21/h12,14-16H,3-11H2,1-2H3,(H,18,22)/t12-,15-,16-/m1/s1
InChIKeyVBXLIIFXRYEFHH-DAXOMENPSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds5

About 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide

2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide (PubChem CID 129426759) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
PubChem CID129426759
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N[C@H](C)C1CC1
InChIInChI=1S/C17H29N3O2/c1-12(14-7-8-14)18-17(22)11-19-9-3-5-15(19)16-6-4-10-20(16)13(2)21/h12,14-16H,3-11H2,1-2H3,(H,18,22)/t12-,15-,16-/m1/s1
InChIKeyVBXLIIFXRYEFHH-DAXOMENPSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide (CID 129426759) is 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide is CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N[C@H](C)C1CC1.
What is the InChIKey of 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
The InChIKey is VBXLIIFXRYEFHH-DAXOMENPSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(14-7-8-14)18-17(22)11-19-9-3-5-15(19)16-6-4-10-20(16)13(2)21/h12,14-16H,3-11H2,1-2H3,(H,18,22)/t12-,15-,16-/m1/s1.
What are the key properties of 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 129426759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).