methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate

C11H15NO5 — CID 11139258

IUPACmethyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate
SMILESCOC(=O)N[C@@H](C(=O)OC)c1cc(C)c(C)o1
InChIInChI=1S/C11H15NO5/c1-6-5-8(17-7(6)2)9(10(13)15-3)12-11(14)16-4/h5,9H,1-4H3,(H,12,14)/t9-/m1/s1
InChIKeyZSAVGRLXFBNIPP-SECBINFHSA-N
MW241.24 g/mol
LogP1.47
Rot. Bonds3

About methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate

methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate (PubChem CID 11139258) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate
PubChem CID11139258
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namemethyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate
SMILESCOC(=O)N[C@@H](C(=O)OC)c1cc(C)c(C)o1
InChIInChI=1S/C11H15NO5/c1-6-5-8(17-7(6)2)9(10(13)15-3)12-11(14)16-4/h5,9H,1-4H3,(H,12,14)/t9-/m1/s1
InChIKeyZSAVGRLXFBNIPP-SECBINFHSA-N
XLogP1.47
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
CID 130495163
ethyl (2R)-2-(methoxycarbonylamino)-2-(5-methylfuran-2-yl)acetate
CID 11096752
4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane
CID 158752284
methyl (2S)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 90119449
(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid
CID 67681824
(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171233483
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
methyl 2-hydroxy-2-(methoxycarbonylamino)acetate
CID 11412561
(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine
CID 130665704
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate?
The IUPAC name of methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate (CID 11139258) is methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate.
What is the SMILES notation for methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate?
The canonical SMILES for methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate is COC(=O)N[C@@H](C(=O)OC)c1cc(C)c(C)o1.
What is the InChIKey of methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate?
The InChIKey is ZSAVGRLXFBNIPP-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO5/c1-6-5-8(17-7(6)2)9(10(13)15-3)12-11(14)16-4/h5,9H,1-4H3,(H,12,14)/t9-/m1/s1.
What are the key properties of methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate?
methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate has a molecular weight of 241.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4,5-dimethylfuran-2-yl)-2-(methoxycarbonylamino)acetate is sourced from PubChem (CID 11139258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).