1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide

C14H24N4O3 — CID 68764210

IUPAC1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@@H](C(=O)N1CCCC1C(N)=O)N1CCCNC1=O
InChIInChI=1S/C14H24N4O3/c1-9(2)11(18-8-4-6-16-14(18)21)13(20)17-7-3-5-10(17)12(15)19/h9-11H,3-8H2,1-2H3,(H2,15,19)(H,16,21)/t10?,11-/m0/s1
InChIKeyYJUOOALVYMZOCS-DTIOYNMSSA-N
MW296.37 g/mol
LogP-0.10
Rot. Bonds4

About 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide

1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide (PubChem CID 68764210) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide
PubChem CID68764210
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@@H](C(=O)N1CCCC1C(N)=O)N1CCCNC1=O
InChIInChI=1S/C14H24N4O3/c1-9(2)11(18-8-4-6-16-14(18)21)13(20)17-7-3-5-10(17)12(15)19/h9-11H,3-8H2,1-2H3,(H2,15,19)(H,16,21)/t10?,11-/m0/s1
InChIKeyYJUOOALVYMZOCS-DTIOYNMSSA-N
XLogP-0.10
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide (CID 68764210) is 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide is CC(C)[C@@H](C(=O)N1CCCC1C(N)=O)N1CCCNC1=O.
What is the InChIKey of 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide?
The InChIKey is YJUOOALVYMZOCS-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9(2)11(18-8-4-6-16-14(18)21)13(20)17-7-3-5-10(17)12(15)19/h9-11H,3-8H2,1-2H3,(H2,15,19)(H,16,21)/t10?,11-/m0/s1.
What are the key properties of 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide?
1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 68764210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).