3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid

C7H10N2O4 — CID 7408483

IUPAC3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1NC(=O)CNC1=O
InChIInChI=1S/C7H10N2O4/c10-5-3-8-7(13)4(9-5)1-2-6(11)12/h4H,1-3H2,(H,8,13)(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyWFLSPLQAZRBQJX-BYPYZUCNSA-N
MW186.17 g/mol
LogP-1.53
Rot. Bonds3

About 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid

3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid (PubChem CID 7408483) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid
PubChem CID7408483
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1NC(=O)CNC1=O
InChIInChI=1S/C7H10N2O4/c10-5-3-8-7(13)4(9-5)1-2-6(11)12/h4H,1-3H2,(H,8,13)(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyWFLSPLQAZRBQJX-BYPYZUCNSA-N
XLogP-1.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 182230
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CID 123935
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CID 25561
Gamma-Glutamylglutamine
CID 150914
Glu-Lys
CID 7015704
L-gamma-glutamyl-L-glutamic acid
CID 92865
Gln-Gln
CID 7010588
Gamma-Glutamylalanine
CID 440103
Ophthalmic acid
CID 7018721
2-Amino-5-[(1-carboxyethyl)amino]-5-oxopentanoic acid
CID 5154674
Glu-Glu
CID 439500

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid (CID 7408483) is 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid is O=C(O)CC[C@@H]1NC(=O)CNC1=O.
What is the InChIKey of 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid?
The InChIKey is WFLSPLQAZRBQJX-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-5-3-8-7(13)4(9-5)1-2-6(11)12/h4H,1-3H2,(H,8,13)(H,9,10)(H,11,12)/t4-/m0/s1.
What are the key properties of 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid?
3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic acid is sourced from PubChem (CID 7408483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).