2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid

C21H20N2O5 — CID 17040176

IUPAC2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1=O
InChIInChI=1S/C21H20N2O5/c24-19-11-23(10-9-22(19)12-20(25)26)21(27)28-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,25,26)
InChIKeyUINCHYCYSIPMAL-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.16
Rot. Bonds4

About 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid

2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid (PubChem CID 17040176) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid
PubChem CID17040176
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1=O
InChIInChI=1S/C21H20N2O5/c24-19-11-23(10-9-22(19)12-20(25)26)21(27)28-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,25,26)
InChIKeyUINCHYCYSIPMAL-UHFFFAOYSA-N
XLogP2.16
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-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-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid (CID 17040176) is 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1=O.
What is the InChIKey of 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid?
The InChIKey is UINCHYCYSIPMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c24-19-11-23(10-9-22(19)12-20(25)26)21(27)28-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,25,26).
What are the key properties of 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid?
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid has a molecular weight of 380.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 17040176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).