ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate

C17H15NO3 — CID 3033193

IUPACethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H15NO3/c1-2-21-17(20)16(19)18-13-7-8-15-12(10-13)9-11-5-3-4-6-14(11)15/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyIISVDDAVKLKCLI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.76
Rot. Bonds2

About ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate

ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate (PubChem CID 3033193) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
PubChem CID3033193
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Nameethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H15NO3/c1-2-21-17(20)16(19)18-13-7-8-15-12(10-13)9-11-5-3-4-6-14(11)15/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyIISVDDAVKLKCLI-UHFFFAOYSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(9H-fluoren-2-yl)pentanamide
CID 43650050
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate
CID 124637634
4-ethoxy-N-(9H-fluoren-2-yl)-3-methoxybenzamide
CID 26889772
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
1-(aminomethyl)-N-(9H-fluoren-2-yl)cyclopropane-1-carboxamide
CID 80588288
1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine
CID 116511868
1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea
CID 51131990
2-tert-butyl-1-(9H-fluoren-2-yl)guanidine
CID 62379249
(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid
CID 11369932
N-(9H-fluoren-2-yl)-2-(phenylcarbamoylamino)acetamide
CID 24583638

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate (CID 3033193) is ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate?
The InChIKey is IISVDDAVKLKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-21-17(20)16(19)18-13-7-8-15-12(10-13)9-11-5-3-4-6-14(11)15/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate?
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate has a molecular weight of 281.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate is sourced from PubChem (CID 3033193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).