2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid

C19H19NO5 — CID 176719721

IUPAC2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESCCON(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO5/c1-2-25-20(11-18(21)22)19(23)24-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,2,11-12H2,1H3,(H,21,22)
InChIKeyVEUCWPOIZWLDOS-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.27
Rot. Bonds6

About 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid

2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (PubChem CID 176719721) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
PubChem CID176719721
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESCCON(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO5/c1-2-25-20(11-18(21)22)19(23)24-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,2,11-12H2,1H3,(H,21,22)
InChIKeyVEUCWPOIZWLDOS-UHFFFAOYSA-N
XLogP3.27
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
CID 54097976
2-[(2-aminoacetyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 174985189
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
CID 59806874
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]-methylamino]acetic acid
CID 73291902
2-[[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-3,5-dimethylphenyl]methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 23159222

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (CID 176719721) is 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is CCON(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The InChIKey is VEUCWPOIZWLDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-2-25-20(11-18(21)22)19(23)24-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,2,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid has a molecular weight of 341.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 176719721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).