tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate

C15H21NO4 — CID 117447986

IUPACtert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1c(O)cccc1CC1(O)CC1
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-13(18)16-12-10(5-4-6-11(12)17)9-15(19)7-8-15/h4-6,17,19H,7-9H2,1-3H3,(H,16,18)
InChIKeyUCNCMRPMIBILGS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate

tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate (PubChem CID 117447986) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate
PubChem CID117447986
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1c(O)cccc1CC1(O)CC1
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-13(18)16-12-10(5-4-6-11(12)17)9-15(19)7-8-15/h4-6,17,19H,7-9H2,1-3H3,(H,16,18)
InChIKeyUCNCMRPMIBILGS-UHFFFAOYSA-N
XLogP2.81
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 69368154
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
3-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-methylbutanoic acid
CID 117494159
2-[3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 165494210
tert-butyl N-[2-hydroxy-6-(1-isocyanatocyclobutyl)phenyl]carbamate
CID 117489643
ethyl 2-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetate
CID 117494091
tert-butyl N-[5-[(1-hydroxycyclopropyl)methyl]-2,3-dimethylphenyl]carbamate
CID 117117530
tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
CID 175297517
tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate
CID 24763845
tert-butyl N-[2-[2-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate
CID 134225119
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate (CID 117447986) is tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1c(O)cccc1CC1(O)CC1.
What is the InChIKey of tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate?
The InChIKey is UCNCMRPMIBILGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2,3)20-13(18)16-12-10(5-4-6-11(12)17)9-15(19)7-8-15/h4-6,17,19H,7-9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate?
tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-6-[(1-hydroxycyclopropyl)methyl]phenyl]carbamate is sourced from PubChem (CID 117447986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).