2-(3-oxopiperazin-2-yl)acetic acid

C6H10N2O3 — CID 4777784

IUPAC2-(3-oxopiperazin-2-yl)acetic acid
SMILESO=C(O)CC1NCCNC1=O
InChIInChI=1S/C6H10N2O3/c9-5(10)3-4-6(11)8-2-1-7-4/h4,7H,1-3H2,(H,8,11)(H,9,10)
InChIKeyDXJIRWKIYQMFBA-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.45
Rot. Bonds2

About 2-(3-oxopiperazin-2-yl)acetic acid

2-(3-oxopiperazin-2-yl)acetic acid (PubChem CID 4777784) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(3-oxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxopiperazin-2-yl)acetic acid
PubChem CID4777784
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-(3-oxopiperazin-2-yl)acetic acid
SMILESO=C(O)CC1NCCNC1=O
InChIInChI=1S/C6H10N2O3/c9-5(10)3-4-6(11)8-2-1-7-4/h4,7H,1-3H2,(H,8,11)(H,9,10)
InChIKeyDXJIRWKIYQMFBA-UHFFFAOYSA-N
XLogP-1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-2-yl)acetic acid?
The IUPAC name of 2-(3-oxopiperazin-2-yl)acetic acid (CID 4777784) is 2-(3-oxopiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxopiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxopiperazin-2-yl)acetic acid is O=C(O)CC1NCCNC1=O.
What is the InChIKey of 2-(3-oxopiperazin-2-yl)acetic acid?
The InChIKey is DXJIRWKIYQMFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-5(10)3-4-6(11)8-2-1-7-4/h4,7H,1-3H2,(H,8,11)(H,9,10).
What are the key properties of 2-(3-oxopiperazin-2-yl)acetic acid?
2-(3-oxopiperazin-2-yl)acetic acid has a molecular weight of 158.16 g/mol, XLogP of -1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 4777784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).