methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate

C10H15NO3 — CID 131172107

IUPACmethyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate
SMILESCOC(=O)[C@](C)(N)c1cc(C)oc1C
InChIInChI=1S/C10H15NO3/c1-6-5-8(7(2)14-6)10(3,11)9(12)13-4/h5H,11H2,1-4H3/t10-/m1/s1
InChIKeyWYADREWVXMOCGR-SNVBAGLBSA-N
MW197.23 g/mol
LogP1.24
Rot. Bonds2

About methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate

methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate (PubChem CID 131172107) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate
PubChem CID131172107
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate
SMILESCOC(=O)[C@](C)(N)c1cc(C)oc1C
InChIInChI=1S/C10H15NO3/c1-6-5-8(7(2)14-6)10(3,11)9(12)13-4/h5H,11H2,1-4H3/t10-/m1/s1
InChIKeyWYADREWVXMOCGR-SNVBAGLBSA-N
XLogP1.24
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate?
The IUPAC name of methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate (CID 131172107) is methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate is COC(=O)[C@](C)(N)c1cc(C)oc1C.
What is the InChIKey of methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate?
The InChIKey is WYADREWVXMOCGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6-5-8(7(2)14-6)10(3,11)9(12)13-4/h5H,11H2,1-4H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate?
methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate has a molecular weight of 197.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate is sourced from PubChem (CID 131172107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).