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

C17H16N2O4 — CID 173067102

IUPAC2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESNN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16N2O4/c18-19(9-16(20)21)17(22)23-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10,18H2,(H,20,21)
InChIKeyVOJKXLOZZPFXBW-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.20
Rot. Bonds4

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

2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (PubChem CID 173067102) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
PubChem CID173067102
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
SMILESNN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16N2O4/c18-19(9-16(20)21)17(22)23-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10,18H2,(H,20,21)
InChIKeyVOJKXLOZZPFXBW-UHFFFAOYSA-N
XLogP2.20
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 176719721
2-[(2-aminoacetyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 174985189
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
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-phenyl-N-propanoylcarbamate
CID 54097976
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid
CID 68802627
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
2-[9H-fluoren-9-ylmethoxycarbonyl(2-pyridin-4-ylethyl)amino]acetic acid
CID 171703087
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454

Frequently Asked Questions

What is the IUPAC name of 2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid (CID 173067102) is 2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is NN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
The InChIKey is VOJKXLOZZPFXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c18-19(9-16(20)21)17(22)23-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10,18H2,(H,20,21).
What are the key properties of 2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid?
2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid has a molecular weight of 312.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 173067102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).