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

C14H23N3O2 — CID 75529689

IUPAC(2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C14H23N3O2/c1-15-14(19)12(9-4-5-9)17-8-2-3-11(17)13(18)16-10-6-7-10/h9-12H,2-8H2,1H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1
InChIKeyGYSBHYQKXAESKU-NWDGAFQWSA-N
MW265.36 g/mol
LogP0.25
Rot. Bonds5

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

(2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 75529689) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID75529689
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C14H23N3O2/c1-15-14(19)12(9-4-5-9)17-8-2-3-11(17)13(18)16-10-6-7-10/h9-12H,2-8H2,1H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1
InChIKeyGYSBHYQKXAESKU-NWDGAFQWSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 75529689) is (2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is GYSBHYQKXAESKU-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-15-14(19)12(9-4-5-9)17-8-2-3-11(17)13(18)16-10-6-7-10/h9-12H,2-8H2,1H3,(H,15,19)(H,16,18)/t11-,12+/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75529689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).