(2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C17H29N3O2 — CID 124777756

IUPAC(2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1
InChIInChI=1S/C17H29N3O2/c1-11(2)17(22)19-8-4-5-15(19)16(21)18-13-9-12(3)20(10-13)14-6-7-14/h11-15H,4-10H2,1-3H3,(H,18,21)/t12-,13-,15+/m0/s1
InChIKeyLRIXQSYFHHEDHC-KCQAQPDRSA-N
MW307.44 g/mol
LogP1.37
Rot. Bonds4

About (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

(2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 124777756) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID124777756
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1
InChIInChI=1S/C17H29N3O2/c1-11(2)17(22)19-8-4-5-15(19)16(21)18-13-9-12(3)20(10-13)14-6-7-14/h11-15H,4-10H2,1-3H3,(H,18,21)/t12-,13-,15+/m0/s1
InChIKeyLRIXQSYFHHEDHC-KCQAQPDRSA-N
XLogP1.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 124777756) is (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1.
What is the InChIKey of (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is LRIXQSYFHHEDHC-KCQAQPDRSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-11(2)17(22)19-8-4-5-15(19)16(21)18-13-9-12(3)20(10-13)14-6-7-14/h11-15H,4-10H2,1-3H3,(H,18,21)/t12-,13-,15+/m0/s1.
What are the key properties of (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
(2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).