4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid

C19H16O7 — CID 175993953

IUPAC4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid
SMILESO=C(O)CC(O)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16O7/c20-16(9-17(21)22)18(23)26-19(24)25-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,21,22)
InChIKeyXMMYEYUPYBMIAC-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.31
Rot. Bonds5

About 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid

4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid (PubChem CID 175993953) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid
PubChem CID175993953
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid
SMILESO=C(O)CC(O)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16O7/c20-16(9-17(21)22)18(23)26-19(24)25-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,21,22)
InChIKeyXMMYEYUPYBMIAC-UHFFFAOYSA-N
XLogP2.31
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
CID 4712559
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
9H-fluoren-9-ylmethoxycarbonyl (2S)-2-amino-4-oxo-4-(tritylamino)butanoate
CID 22873843
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
CID 164606401
(3S,5S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-5-methylheptanoic acid
CID 170895498
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
(3S,4S)-4-[1-(9H-fluoren-9-ylmethoxy)ethenylamino]-3-hydroxy-6-methylheptanoic acid
CID 67598558
(2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate
CID 54522503

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid (CID 175993953) is 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid is O=C(O)CC(O)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid?
The InChIKey is XMMYEYUPYBMIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O7/c20-16(9-17(21)22)18(23)26-19(24)25-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,21,22).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid?
4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid has a molecular weight of 356.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-hydroxy-4-oxobutanoic acid is sourced from PubChem (CID 175993953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).