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

C15H13NO3 — CID 2400444

IUPAC2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid
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)/t10-/m1/s1
InChIKeyKBGCEYIHBMWQIO-SNVBAGLBSA-N
MW255.27 g/mol
LogP2.23
Rot. Bonds4

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

2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid (PubChem CID 2400444) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid
PubChem CID2400444
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid
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)/t10-/m1/s1
InChIKeyKBGCEYIHBMWQIO-SNVBAGLBSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Benzhydrylamino)oxyacetic acid
CID 23044530
(3H-inden-1-ylamino) acetate
CID 57202391
2-(Tritylamino)oxyacetic acid
CID 85538735
2-[1-(3-Phenylphenyl)ethenylamino]oxyacetic acid
CID 91449692
5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid
CID 91579203
[(3-phenyl-3H-inden-1-yl)amino] acetate
CID 123171040
2-Hydroxyacetic acid;2-(2-methylphenyl)propan-2-amine
CID 173162117
2-[1-(4-Methylphenyl)ethenylamino]oxyacetic acid
CID 2308496
2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate
CID 2400443

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid?
The IUPAC name of 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid (CID 2400444) is 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid?
The canonical SMILES for 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid is O=C(O)CONC1=C2C=CC=C[C@@H]2c2ccccc21.
What is the InChIKey of 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid?
The InChIKey is KBGCEYIHBMWQIO-SNVBAGLBSA-N. 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)/t10-/m1/s1.
What are the key properties of 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid?
2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid has a molecular weight of 255.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid is sourced from PubChem (CID 2400444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).