tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate

C21H25NO4 — CID 170833105

IUPACtert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22-12-18(23)19(24)14-8-9-17-15(11-14)10-13-6-4-5-7-16(13)17/h4-9,11,18-19,23-24H,10,12H2,1-3H3,(H,22,25)
InChIKeyDCBMROREQUKTDY-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate

tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170833105) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID170833105
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nametert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22-12-18(23)19(24)14-8-9-17-15(11-14)10-13-6-4-5-7-16(13)17/h4-9,11,18-19,23-24H,10,12H2,1-3H3,(H,22,25)
InChIKeyDCBMROREQUKTDY-UHFFFAOYSA-N
XLogP3.18
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
CID 170833141
tert-butyl N-[3-(3,4-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831663
tert-butyl N-[3-(1,3-dioxoisoindol-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170832899
tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate
CID 170831552
methyl 3-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 170832403
tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate
CID 170491424
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
9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate
CID 171887623
3-amino-1-(9H-fluoren-2-yl)propane-1,2-diol
CID 170829007
tert-butyl N-[3-(4-acetyl-3-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832452
tert-butyl N-[3-(4-amino-3-ethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832155

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate (CID 170833105) is tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate is CC(C)(C)OC(=O)NCC(O)C(O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is DCBMROREQUKTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22-12-18(23)19(24)14-8-9-17-15(11-14)10-13-6-4-5-7-16(13)17/h4-9,11,18-19,23-24H,10,12H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 355.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170833105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).