3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid

C10H16N2O4 — CID 110191810

IUPAC3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid
SMILESCC(C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-5(2)8-10(16)11-6(9(15)12-8)3-4-7(13)14/h5-6,8H,3-4H2,1-2H3,(H,11,16)(H,12,15)(H,13,14)/t6-,8-/m0/s1
InChIKeyOPFQZSJENUEYCX-XPUUQOCRSA-N
MW228.25 g/mol
LogP-0.51
Rot. Bonds4

About 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid

3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid (PubChem CID 110191810) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid
PubChem CID110191810
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid
SMILESCC(C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-5(2)8-10(16)11-6(9(15)12-8)3-4-7(13)14/h5-6,8H,3-4H2,1-2H3,(H,11,16)(H,12,15)(H,13,14)/t6-,8-/m0/s1
InChIKeyOPFQZSJENUEYCX-XPUUQOCRSA-N
XLogP-0.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

gamma-Glutamylleucine
CID 151023
Ophthalmic acid
CID 7018721
Glu-Glu
CID 439500
L-gamma-glutamyl-L-isoleucine
CID 22885096
Ile-Glu
CID 18218218
gamma-Glutamylvaline
CID 7015683
Glu-Leu
CID 9856500
Leucylglutamic acid
CID 5259590
Val-Glu
CID 7009623
Val-Gln
CID 7016045
Glutamyl-aspartyl-leucine
CID 444128
Norophthalmic acid
CID 5489007

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid (CID 110191810) is 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid is CC(C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC1=O.
What is the InChIKey of 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid?
The InChIKey is OPFQZSJENUEYCX-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5(2)8-10(16)11-6(9(15)12-8)3-4-7(13)14/h5-6,8H,3-4H2,1-2H3,(H,11,16)(H,12,15)(H,13,14)/t6-,8-/m0/s1.
What are the key properties of 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid?
3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid is sourced from PubChem (CID 110191810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).