2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid

C9H14N2O3 — CID 55263569

IUPAC2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C9H14N2O3/c12-8-5-10(6-9(13)14)3-4-11(8)7-1-2-7/h7H,1-6H2,(H,13,14)
InChIKeyXYGHYAMEKLQEQP-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.62
Rot. Bonds3

About 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid

2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid (PubChem CID 55263569) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid
PubChem CID55263569
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C9H14N2O3/c12-8-5-10(6-9(13)14)3-4-11(8)7-1-2-7/h7H,1-6H2,(H,13,14)
InChIKeyXYGHYAMEKLQEQP-UHFFFAOYSA-N
XLogP-0.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid (CID 55263569) is 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid is O=C(O)CN1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid?
The InChIKey is XYGHYAMEKLQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-5-10(6-9(13)14)3-4-11(8)7-1-2-7/h7H,1-6H2,(H,13,14).
What are the key properties of 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid?
2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid has a molecular weight of 198.22 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid is sourced from PubChem (CID 55263569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).