tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate

C14H21NO5 — CID 170831552

IUPACtert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1cccc(O)c1
InChIInChI=1S/C14H21NO5/c1-14(2,3)20-13(19)15-8-11(17)12(18)9-5-4-6-10(16)7-9/h4-7,11-12,16-18H,8H2,1-3H3,(H,15,19)
InChIKeyRISNHIGGWHWIPP-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.31
Rot. Bonds4

About tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate

tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate (PubChem CID 170831552) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate
PubChem CID170831552
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nametert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1cccc(O)c1
InChIInChI=1S/C14H21NO5/c1-14(2,3)20-13(19)15-8-11(17)12(18)9-5-4-6-10(16)7-9/h4-7,11-12,16-18H,8H2,1-3H3,(H,15,19)
InChIKeyRISNHIGGWHWIPP-UHFFFAOYSA-N
XLogP1.31
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 170832403
tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate
CID 83930271
tert-butyl N-[2,3-dihydroxy-3-[3-(2,2,2-trifluoroacetyl)phenyl]propyl]carbamate
CID 170832983
tert-butyl N-[2,3-dihydroxy-3-(3-sulfamoylphenyl)propyl]carbamate
CID 170832544
tert-butyl N-[3-(3,4-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831663
tert-butyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170833086
tert-butyl N-[2,3-dihydroxy-3-(3-morpholin-4-ylphenyl)propyl]carbamate
CID 170832952
tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
CID 170833141
tert-butyl N-[3-(2,3-dihydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833404
tert-butyl N-[2,3-dihydroxy-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propyl]carbamate
CID 170832938
tert-butyl N-[3-(3-fluoro-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831658
tert-butyl N-[2,3-dihydroxy-3-(4-hydroxy-2-methylphenyl)propyl]carbamate
CID 170831737

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate (CID 170831552) is tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate is CC(C)(C)OC(=O)NCC(O)C(O)c1cccc(O)c1.
What is the InChIKey of tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate?
The InChIKey is RISNHIGGWHWIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-14(2,3)20-13(19)15-8-11(17)12(18)9-5-4-6-10(16)7-9/h4-7,11-12,16-18H,8H2,1-3H3,(H,15,19).
What are the key properties of tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate?
tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate has a molecular weight of 283.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate is sourced from PubChem (CID 170831552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).