(2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C13H23N3O2 — CID 75411475

IUPAC(2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-13(2,12(18)14-3)16-8-4-5-10(16)11(17)15-9-6-7-9/h9-10H,4-8H2,1-3H3,(H,14,18)(H,15,17)/t10-/m0/s1
InChIKeyQKCCVADNPSADGI-JTQLQIEISA-N
MW253.35 g/mol
LogP0.25
Rot. Bonds4

About (2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 75411475) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID75411475
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-13(2,12(18)14-3)16-8-4-5-10(16)11(17)15-9-6-7-9/h9-10H,4-8H2,1-3H3,(H,14,18)(H,15,17)/t10-/m0/s1
InChIKeyQKCCVADNPSADGI-JTQLQIEISA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
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-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 75411475) is (2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is QKCCVADNPSADGI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,12(18)14-3)16-8-4-5-10(16)11(17)15-9-6-7-9/h9-10H,4-8H2,1-3H3,(H,14,18)(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).