[(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate

C11H17NO4 — CID 144595697

IUPAC[(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate
SMILESCNC(=O)O[C@H](c1ccco1)[C@H](C)CCO
InChIInChI=1S/C11H17NO4/c1-8(5-6-13)10(16-11(14)12-2)9-4-3-7-15-9/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,12,14)/t8-,10+/m1/s1
InChIKeyIGFGIAGVQJDQJN-SCZZXKLOSA-N
MW227.26 g/mol
LogP1.70
Rot. Bonds5

About [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate

[(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate (PubChem CID 144595697) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate.

Molecular Properties

Compound Name[(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate
PubChem CID144595697
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name[(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate
SMILESCNC(=O)O[C@H](c1ccco1)[C@H](C)CCO
InChIInChI=1S/C11H17NO4/c1-8(5-6-13)10(16-11(14)12-2)9-4-3-7-15-9/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,12,14)/t8-,10+/m1/s1
InChIKeyIGFGIAGVQJDQJN-SCZZXKLOSA-N
XLogP1.70
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 79345496
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66139067
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133490799
[(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate
CID 10465769
3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
CID 115723211
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104663612

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate?
The IUPAC name of [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate (CID 144595697) is [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate.
What is the SMILES notation for [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate?
The canonical SMILES for [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate is CNC(=O)O[C@H](c1ccco1)[C@H](C)CCO.
What is the InChIKey of [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate?
The InChIKey is IGFGIAGVQJDQJN-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8(5-6-13)10(16-11(14)12-2)9-4-3-7-15-9/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,12,14)/t8-,10+/m1/s1.
What are the key properties of [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate?
[(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate has a molecular weight of 227.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate is sourced from PubChem (CID 144595697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).