9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate

C17H17NO3 — CID 146329215

IUPAC9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate
SMILESCONCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17NO3/c1-20-18-10-17(19)21-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16,18H,10-11H2,1H3
InChIKeyOBFKRYZKZUSPOJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.49
Rot. Bonds5

About 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate

9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate (PubChem CID 146329215) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate
PubChem CID146329215
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate
SMILESCONCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17NO3/c1-20-18-10-17(19)21-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16,18H,10-11H2,1H3
InChIKeyOBFKRYZKZUSPOJ-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.49
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

9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 4,4-dimethyl-3-oxopentanoate
CID 59055681
4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(sulfanylmethyl)butanedioate
CID 159838326
(2S)-2-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 54296173
4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(iodomethyl)butanedioate
CID 158828897
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate
CID 58238692
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
CID 23573686
CID 23573686
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 177268739
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate (CID 146329215) is 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate is CONCC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate?
The InChIKey is OBFKRYZKZUSPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-18-10-17(19)21-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16,18H,10-11H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate?
9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate has a molecular weight of 283.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate is sourced from PubChem (CID 146329215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).