tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate

C21H23NO5 — CID 170833141

IUPACtert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H23NO5/c1-21(2,3)27-20(26)22-11-17(23)18(24)12-8-9-14-13-6-4-5-7-15(13)19(25)16(14)10-12/h4-10,17-18,23-24H,11H2,1-3H3,(H,22,26)
InChIKeyTZOVYXFQYJJMLZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate

tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate (PubChem CID 170833141) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
PubChem CID170833141
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Nametert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H23NO5/c1-21(2,3)27-20(26)22-11-17(23)18(24)12-8-9-14-13-6-4-5-7-15(13)19(25)16(14)10-12/h4-10,17-18,23-24H,11H2,1-3H3,(H,22,26)
InChIKeyTZOVYXFQYJJMLZ-UHFFFAOYSA-N
XLogP2.82
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate
CID 170833105
tert-butyl N-[3-(1,3-dioxoisoindol-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170832899
tert-butyl N-[3-(3,4-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831663
2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one
CID 171858964
tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate
CID 170831552
tert-butyl N-[3-(3-fluoro-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831658
tert-butyl N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831537
tert-butyl N-[2,3-dihydroxy-3-(3-sulfamoylphenyl)propyl]carbamate
CID 170832544
tert-butyl N-[3-(4-acetyl-3-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832452
methyl 3-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 170832403
tert-butyl N-[3-(4-amino-3-ethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832155
tert-butyl N-[2,3-dihydroxy-3-[3-methyl-4-(trifluoromethyl)phenyl]propyl]carbamate
CID 170832625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate (CID 170833141) is tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate is CC(C)(C)OC(=O)NCC(O)C(O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate?
The InChIKey is TZOVYXFQYJJMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-21(2,3)27-20(26)22-11-17(23)18(24)12-8-9-14-13-6-4-5-7-15(13)19(25)16(14)10-12/h4-10,17-18,23-24H,11H2,1-3H3,(H,22,26).
What are the key properties of tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate?
tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate is sourced from PubChem (CID 170833141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).