2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid

C15H18N2O3 — CID 2997438

IUPAC2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C1Cc2ccccc2C1
InChIInChI=1S/C15H18N2O3/c18-14(19)9-13-15(20)16-5-6-17(13)12-7-10-3-1-2-4-11(10)8-12/h1-4,12-13H,5-9H2,(H,16,20)(H,18,19)
InChIKeyCVVHUAIMEICGSA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.43
Rot. Bonds3

About 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 2997438) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID2997438
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C1Cc2ccccc2C1
InChIInChI=1S/C15H18N2O3/c18-14(19)9-13-15(20)16-5-6-17(13)12-7-10-3-1-2-4-11(10)8-12/h1-4,12-13H,5-9H2,(H,16,20)(H,18,19)
InChIKeyCVVHUAIMEICGSA-UHFFFAOYSA-N
XLogP0.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid (CID 2997438) is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1C1Cc2ccccc2C1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is CVVHUAIMEICGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)9-13-15(20)16-5-6-17(13)12-7-10-3-1-2-4-11(10)8-12/h1-4,12-13H,5-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 2997438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).