ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate

C11H15NO5 — CID 11096752

IUPACethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate
SMILESCCOC(=O)[C@H](NC(=O)OC)c1ccc(C)o1
InChIInChI=1S/C11H15NO5/c1-4-16-10(13)9(12-11(14)15-3)8-6-5-7(2)17-8/h5-6,9H,4H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeySDZULYHTCYAEEF-SECBINFHSA-N
MW241.24 g/mol
LogP1.55
Rot. Bonds4

About ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate

ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate (PubChem CID 11096752) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate
PubChem CID11096752
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Nameethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate
SMILESCCOC(=O)[C@H](NC(=O)OC)c1ccc(C)o1
InChIInChI=1S/C11H15NO5/c1-4-16-10(13)9(12-11(14)15-3)8-6-5-7(2)17-8/h5-6,9H,4H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeySDZULYHTCYAEEF-SECBINFHSA-N
XLogP1.55
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylfuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 116860991
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
3-methyl-2-(5-methylfuran-2-yl)pentanoic acid
CID 112708912
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 83038809
ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 38468933
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
ethyl 2-amino-5-(5-methylfuran-2-yl)hexanoate
CID 170884770
ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate
CID 47043505
methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate
CID 11139258
methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate
CID 117241145
2,5-dimethylfuran;ethyl acetate
CID 174830713

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate?
The IUPAC name of ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate (CID 11096752) is ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate.
What is the SMILES notation for ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate?
The canonical SMILES for ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate is CCOC(=O)[C@H](NC(=O)OC)c1ccc(C)o1.
What is the InChIKey of ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate?
The InChIKey is SDZULYHTCYAEEF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO5/c1-4-16-10(13)9(12-11(14)15-3)8-6-5-7(2)17-8/h5-6,9H,4H2,1-3H3,(H,12,14)/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate?
ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate has a molecular weight of 241.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate is sourced from PubChem (CID 11096752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).