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

C17H19NO5 — CID 171855358

IUPACbenzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccccc1O)OCc1ccccc1
InChIInChI=1S/C17H19NO5/c19-14-9-5-4-8-13(14)16(21)15(20)10-18-17(22)23-11-12-6-2-1-3-7-12/h1-9,15-16,19-21H,10-11H2,(H,18,22)
InChIKeyFRELTUXOKAOJCN-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.71
Rot. Bonds6

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

benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate (PubChem CID 171855358) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
PubChem CID171855358
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namebenzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccccc1O)OCc1ccccc1
InChIInChI=1S/C17H19NO5/c19-14-9-5-4-8-13(14)16(21)15(20)10-18-17(22)23-11-12-6-2-1-3-7-12/h1-9,15-16,19-21H,10-11H2,(H,18,22)
InChIKeyFRELTUXOKAOJCN-UHFFFAOYSA-N
XLogP1.71
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(4-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855523
benzyl N-[3-(3-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857226
benzyl N-[3-(2-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855539
5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2,4-dihydroxybenzoic acid
CID 171856457
benzyl N-[2,3-dihydroxy-3-(2-methylsulfonylphenyl)propyl]carbamate
CID 171856199
benzyl N-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857228
3-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorobenzoic acid
CID 171856190
benzyl N-[3-(2-carbamimidoylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855903
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-(2,3-dihydroxy-3-phenanthren-9-ylpropyl)carbamate
CID 171856946
benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate
CID 171856074
methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate
CID 171857210

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate (CID 171855358) is benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate is O=C(NCC(O)C(O)c1ccccc1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate?
The InChIKey is FRELTUXOKAOJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c19-14-9-5-4-8-13(14)16(21)15(20)10-18-17(22)23-11-12-6-2-1-3-7-12/h1-9,15-16,19-21H,10-11H2,(H,18,22).
What are the key properties of benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate has a molecular weight of 317.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate is sourced from PubChem (CID 171855358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).