[(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate

C13H16N2O4 — CID 175547780

IUPAC[(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate
SMILESCNC(=O)O[C@@H](CN)c1ccc2c(c1C)COC2=O
InChIInChI=1S/C13H16N2O4/c1-7-8(11(5-14)19-13(17)15-2)3-4-9-10(7)6-18-12(9)16/h3-4,11H,5-6,14H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyFMFOVXUDGWABNJ-NSHDSACASA-N
MW264.28 g/mol
LogP1.02
Rot. Bonds3

About [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate

[(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate (PubChem CID 175547780) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate.

Molecular Properties

Compound Name[(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate
PubChem CID175547780
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate
SMILESCNC(=O)O[C@@H](CN)c1ccc2c(c1C)COC2=O
InChIInChI=1S/C13H16N2O4/c1-7-8(11(5-14)19-13(17)15-2)3-4-9-10(7)6-18-12(9)16/h3-4,11H,5-6,14H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyFMFOVXUDGWABNJ-NSHDSACASA-N
XLogP1.02
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate with MolForge

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Related Compounds

N-[(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]acetamide
CID 134523993
5-[(2S)-1-hydroxypropan-2-yl]-4-methyl-3H-2-benzofuran-1-one
CID 124560268
1H-pyrazol-4-ylmethyl N-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]carbamate
CID 134523730
5-[(1S,2R)-1,2-dihydroxypropyl]-4-methyl-3H-2-benzofuran-1-one
CID 129409017
[(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate
CID 174996670
[(2R)-2-(methanesulfonamido)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]carbamic acid
CID 134523826
[(2R)-2-(ethylsulfonylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]carbamic acid
CID 134523780
5-[2-(azetidin-1-yl)-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 154464322
5-[(1R)-2-(4-aminopiperidin-1-yl)-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 86730581
[3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate
CID 137350947
5-[(1R)-1-hydroxy-2-piperazin-1-ylethyl]-4-methyl-3H-2-benzofuran-1-one
CID 59568728
5-[(1R)-2-[3-(aminomethyl)-3-methylpiperidin-1-yl]-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 90409940

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate?
The IUPAC name of [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate (CID 175547780) is [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate.
What is the SMILES notation for [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate?
The canonical SMILES for [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate is CNC(=O)O[C@@H](CN)c1ccc2c(c1C)COC2=O.
What is the InChIKey of [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate?
The InChIKey is FMFOVXUDGWABNJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7-8(11(5-14)19-13(17)15-2)3-4-9-10(7)6-18-12(9)16/h3-4,11H,5-6,14H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate?
[(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate has a molecular weight of 264.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate is sourced from PubChem (CID 175547780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).