2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate

C15H12NO3- — CID 2400443

IUPAC2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate
SMILESO=C([O-])CONC1=C2C=CC=C[C@@H]2c2ccccc21
InChIInChI=1S/C15H13NO3/c17-14(18)9-19-16-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8,10,16H,9H2,(H,17,18)/p-1/t10-/m1/s1
InChIKeyKBGCEYIHBMWQIO-SNVBAGLBSA-M
MW254.27 g/mol
LogP0.89
Rot. Bonds4

About 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate

2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate (PubChem CID 2400443) has the molecular formula C15H12NO3- and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate.

Molecular Properties

Compound Name2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate
PubChem CID2400443
Molecular FormulaC15H12NO3-
Molecular Weight254.27 g/mol
Exact Mass254.08
IUPAC Name2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate
SMILESO=C([O-])CONC1=C2C=CC=C[C@@H]2c2ccccc21
InChIInChI=1S/C15H13NO3/c17-14(18)9-19-16-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8,10,16H,9H2,(H,17,18)/p-1/t10-/m1/s1
InChIKeyKBGCEYIHBMWQIO-SNVBAGLBSA-M
XLogP0.89
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.89
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

(3H-inden-1-ylamino) acetate
CID 57202391
2-[1-(3-Phenylphenyl)ethenylamino]oxyacetic acid
CID 91449692
[(3-phenyl-3H-inden-1-yl)amino] acetate
CID 123171040
(8,9-dihydro-7H-benzo[7]annulen-5-ylamino) acetate
CID 123982166
ethyl 2-[[2-(aminodiazenyl)-3H-inden-1-yl]amino]oxyacetate
CID 137218919
2-[1-(4-Methylphenyl)ethenylamino]oxyacetate
CID 2308495
2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid
CID 2400444
(7-Bicyclo[4.2.0]octa-1,3,5,7-tetraenylamino) acetate
CID 3632176
2-(Benzhydrylamino)oxyacetate
CID 23044529

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate?
The IUPAC name of 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate (CID 2400443) is 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate.
What is the SMILES notation for 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate?
The canonical SMILES for 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate is O=C([O-])CONC1=C2C=CC=C[C@@H]2c2ccccc21.
What is the InChIKey of 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate?
The InChIKey is KBGCEYIHBMWQIO-SNVBAGLBSA-M. The full InChI is InChI=1S/C15H13NO3/c17-14(18)9-19-16-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8,10,16H,9H2,(H,17,18)/p-1/t10-/m1/s1.
What are the key properties of 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate?
2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate has a molecular weight of 254.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate is sourced from PubChem (CID 2400443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).