tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate

C12H19NO4 — CID 116861139

IUPACtert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
SMILESCc1ccc(C(O)CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C12H19NO4/c1-8-5-6-10(16-8)9(14)7-13-11(15)17-12(2,3)4/h5-6,9,14H,7H2,1-4H3,(H,13,15)
InChIKeyXLKMNKQFENQKNQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate

tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate (PubChem CID 116861139) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
PubChem CID116861139
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nametert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
SMILESCc1ccc(C(O)CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C12H19NO4/c1-8-5-6-10(16-8)9(14)7-13-11(15)17-12(2,3)4/h5-6,9,14H,7H2,1-4H3,(H,13,15)
InChIKeyXLKMNKQFENQKNQ-UHFFFAOYSA-N
XLogP2.15
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
CID 107254271
tert-butyl N-[2-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 123235066
2-(5-methylfuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 116860991
2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115646640
4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 23586222
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
tert-butyl N-[(2S)-2-hydroxy-2-(4-iodophenyl)ethyl]carbamate
CID 51441490
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995178
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
CID 103785992

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate (CID 116861139) is tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate is Cc1ccc(C(O)CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate?
The InChIKey is XLKMNKQFENQKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8-5-6-10(16-8)9(14)7-13-11(15)17-12(2,3)4/h5-6,9,14H,7H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate?
tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate is sourced from PubChem (CID 116861139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).