2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid

C24H28N2O6 — CID 2756167

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)25-12-13-26(14-21(27)28)23(30)31-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,25,29)(H,27,28)
InChIKeySMLJSDLXJRGOKW-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.85
Rot. Bonds7

About 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid

2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid (PubChem CID 2756167) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
PubChem CID2756167
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)25-12-13-26(14-21(27)28)23(30)31-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,25,29)(H,27,28)
InChIKeySMLJSDLXJRGOKW-UHFFFAOYSA-N
XLogP3.85
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid (CID 2756167) is 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid is CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid?
The InChIKey is SMLJSDLXJRGOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)25-12-13-26(14-21(27)28)23(30)31-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,25,29)(H,27,28).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid has a molecular weight of 440.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid is sourced from PubChem (CID 2756167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).