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

C20H19NO4 — CID 10640670

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19NO4/c1-2-11-21(12-19(22)23)20(24)25-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18H,1,11-13H2,(H,22,23)
InChIKeyNVNQGCMKCQZFSM-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.51
Rot. Bonds6

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

2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid (PubChem CID 10640670) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid
PubChem CID10640670
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19NO4/c1-2-11-21(12-19(22)23)20(24)25-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18H,1,11-13H2,(H,22,23)
InChIKeyNVNQGCMKCQZFSM-UHFFFAOYSA-N
XLogP3.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid (CID 10640670) is 2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid?
The InChIKey is NVNQGCMKCQZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-11-21(12-19(22)23)20(24)25-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18H,1,11-13H2,(H,22,23).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid has a molecular weight of 337.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 10640670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).