(2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

C15H27N3O2 — CID 75529688

IUPAC(2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-15(2,3)17-13(19)11-6-5-9-18(11)12(10-7-8-10)14(20)16-4/h10-12H,5-9H2,1-4H3,(H,16,20)(H,17,19)/t11-,12+/m0/s1
InChIKeyPTANEMHWZGESKG-NWDGAFQWSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds4

About (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

(2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 75529688) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID75529688
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-15(2,3)17-13(19)11-6-5-9-18(11)12(10-7-8-10)14(20)16-4/h10-12H,5-9H2,1-4H3,(H,16,20)(H,17,19)/t11-,12+/m0/s1
InChIKeyPTANEMHWZGESKG-NWDGAFQWSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 75529688) is (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is PTANEMHWZGESKG-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)17-13(19)11-6-5-9-18(11)12(10-7-8-10)14(20)16-4/h10-12H,5-9H2,1-4H3,(H,16,20)(H,17,19)/t11-,12+/m0/s1.
What are the key properties of (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
(2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75529688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).