9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate

C19H21NO3 — CID 57365284

IUPAC9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate
SMILESNCCC(O)CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO3/c20-10-9-13(21)11-19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,21H,9-12,20H2
InChIKeyKQLLILWSZYQXAL-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.44
Rot. Bonds6

About 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate

9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate (PubChem CID 57365284) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate
PubChem CID57365284
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate
SMILESNCCC(O)CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO3/c20-10-9-13(21)11-19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,21H,9-12,20H2
InChIKeyKQLLILWSZYQXAL-UHFFFAOYSA-N
XLogP2.44
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 147470453
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-(sulfanylmethyl)butanoic acid
CID 157199768
CID 23573686
CID 23573686
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(sulfanylmethyl)butanedioate
CID 159838326

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate (CID 57365284) is 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate is NCCC(O)CC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate?
The InChIKey is KQLLILWSZYQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c20-10-9-13(21)11-19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,21H,9-12,20H2.
What are the key properties of 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate?
9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate has a molecular weight of 311.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 5-amino-3-hydroxypentanoate is sourced from PubChem (CID 57365284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).