3-(3-oxopiperazin-1-yl)propanoic acid

C7H12N2O3 — CID 28533671

IUPAC3-(3-oxopiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCNC(=O)C1
InChIInChI=1S/C7H12N2O3/c10-6-5-9(4-2-8-6)3-1-7(11)12/h1-5H2,(H,8,10)(H,11,12)
InChIKeyMEPQLYCZCYIEQT-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.11
Rot. Bonds3

About 3-(3-oxopiperazin-1-yl)propanoic acid

3-(3-oxopiperazin-1-yl)propanoic acid (PubChem CID 28533671) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-(3-oxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-oxopiperazin-1-yl)propanoic acid
PubChem CID28533671
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-(3-oxopiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCNC(=O)C1
InChIInChI=1S/C7H12N2O3/c10-6-5-9(4-2-8-6)3-1-7(11)12/h1-5H2,(H,8,10)(H,11,12)
InChIKeyMEPQLYCZCYIEQT-UHFFFAOYSA-N
XLogP-1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(3-oxopiperazin-1-yl)propanoic acid (CID 28533671) is 3-(3-oxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-oxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-oxopiperazin-1-yl)propanoic acid is O=C(O)CCN1CCNC(=O)C1.
What is the InChIKey of 3-(3-oxopiperazin-1-yl)propanoic acid?
The InChIKey is MEPQLYCZCYIEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-6-5-9(4-2-8-6)3-1-7(11)12/h1-5H2,(H,8,10)(H,11,12).
What are the key properties of 3-(3-oxopiperazin-1-yl)propanoic acid?
3-(3-oxopiperazin-1-yl)propanoic acid has a molecular weight of 172.18 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 28533671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).