9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate

C18H19NO2 — CID 59446298

IUPAC9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO2/c1-18(2,19)17(20)21-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11,19H2,1-2H3
InChIKeyXKVHFGWLDRQPCW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.08
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate

9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate (PubChem CID 59446298) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
PubChem CID59446298
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO2/c1-18(2,19)17(20)21-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11,19H2,1-2H3
InChIKeyXKVHFGWLDRQPCW-UHFFFAOYSA-N
XLogP3.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl 2-but-2-enyl-2-methylhex-4-enoate
CID 161425763
9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate
CID 175476365
2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 69036626
(2S)-3-(9H-fluoren-9-ylmethoxy)-2-methyl-3-oxo-2-(N-phenylanilino)propanoic acid
CID 68509314
9H-fluoren-9-ylmethyl 4,4-dimethyl-3-oxopentanoate
CID 59055681
3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
CID 53394998
(2S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 56980534
(2S,3S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-3-methoxybutanoic acid
CID 56923842
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid
CID 178186306

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate (CID 59446298) is 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate is CC(C)(N)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate?
The InChIKey is XKVHFGWLDRQPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2,19)17(20)21-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11,19H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate?
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate has a molecular weight of 281.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 59446298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).