2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid

C26H25NO6 — CID 10742066

IUPAC2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1
InChIInChI=1S/C26H25NO6/c1-31-18-12-11-17(24(13-18)32-2)14-27(15-25(28)29)26(30)33-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-13,23H,14-16H2,1-2H3,(H,28,29)
InChIKeyUIDQSTVPYKMCEY-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.54
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid

2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (PubChem CID 10742066) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
PubChem CID10742066
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1
InChIInChI=1S/C26H25NO6/c1-31-18-12-11-17(24(13-18)32-2)14-27(15-25(28)29)26(30)33-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-13,23H,14-16H2,1-2H3,(H,28,29)
InChIKeyUIDQSTVPYKMCEY-UHFFFAOYSA-N
XLogP4.54
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (CID 10742066) is 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is COc1ccc(CN(CC(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The InChIKey is UIDQSTVPYKMCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO6/c1-31-18-12-11-17(24(13-18)32-2)14-27(15-25(28)29)26(30)33-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-13,23H,14-16H2,1-2H3,(H,28,29).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid has a molecular weight of 447.49 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 10742066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).