3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide

C11H19N3O3 — CID 57400085

IUPAC3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide
SMILESCC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC1=O
InChIInChI=1S/C11H19N3O3/c1-6(2)5-8-11(17)13-7(10(16)14-8)3-4-9(12)15/h6-8H,3-5H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1
InChIKeyPNSJDEJVDJHGLZ-YUMQZZPRSA-N
MW241.29 g/mol
LogP-0.72
Rot. Bonds5

About 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide

3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide (PubChem CID 57400085) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide
PubChem CID57400085
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide
SMILESCC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC1=O
InChIInChI=1S/C11H19N3O3/c1-6(2)5-8-11(17)13-7(10(16)14-8)3-4-9(12)15/h6-8H,3-5H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1
InChIKeyPNSJDEJVDJHGLZ-YUMQZZPRSA-N
XLogP-0.72
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-oxoaziridin-2-yl)propanamide
CID 129164942
3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanamide
CID 171116529
3-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-8,11,17,26,29-pentakis(4-aminobutyl)-20-benzyl-5,14,23-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]propanamide
CID 23652653
3-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-5,8,14,17,29-pentakis(4-aminobutyl)-20-benzyl-11,23,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]propanamide
CID 23652500
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
3-[(2S,5S)-5-(2-amino-2-oxoethyl)-3,6-dioxopiperazin-2-yl]propanamide
CID 102304528
3-[(2S,8S,11S)-11-(2-amino-2-oxoethyl)-8-(2-methylpropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propanoic acid
CID 164931460
(3S,6R)-3-(hydroxymethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 162908531
(3S,6R)-3-(2-methylpropyl)-6-pentylpiperazine-2,5-dione
CID 157372479
2-[(2S,5S,14S,17S,20S,23S,26S)-20,26-bis(4-aminobutyl)-5,23-bis(3-amino-3-oxopropyl)-14-(2-methylpropyl)-3,6,9,12,15,18,21,24,27-nonaoxo-17-propan-2-yl-1,4,7,10,13,16,19,22,25-nonazacycloheptacos-2-yl]acetic acid
CID 16747625
3-[(3S,9S,12S,18S)-9-(3-amino-3-oxopropyl)-12-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13-pentazabicyclo[16.3.0]henicosan-3-yl]propanoic acid
CID 167684221
3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide
CID 73293311

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide?
The IUPAC name of 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide (CID 57400085) is 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide.
What is the SMILES notation for 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide?
The canonical SMILES for 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide is CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC1=O.
What is the InChIKey of 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide?
The InChIKey is PNSJDEJVDJHGLZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-6(2)5-8-11(17)13-7(10(16)14-8)3-4-9(12)15/h6-8H,3-5H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1.
What are the key properties of 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide?
3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide has a molecular weight of 241.29 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide is sourced from PubChem (CID 57400085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).