2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid

C11H18N2O3 — CID 2996978

IUPAC2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C11H18N2O3/c14-10(15)7-9-11(16)12-5-6-13(9)8-3-1-2-4-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyKNWYOLQFIYDLLL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.20
Rot. Bonds3

About 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid

2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid (PubChem CID 2996978) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid
PubChem CID2996978
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C11H18N2O3/c14-10(15)7-9-11(16)12-5-6-13(9)8-3-1-2-4-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyKNWYOLQFIYDLLL-UHFFFAOYSA-N
XLogP0.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid?
The IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid (CID 2996978) is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid is O=C(O)CC1C(=O)NCCN1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid?
The InChIKey is KNWYOLQFIYDLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(15)7-9-11(16)12-5-6-13(9)8-3-1-2-4-8/h8-9H,1-7H2,(H,12,16)(H,14,15).
What are the key properties of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid?
2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 2996978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).