methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate

C10H13NO4 — CID 10921781

IUPACmethyl (2R)-2-acetamido-3-(furan-2-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccco1)NC(C)=O
InChIInChI=1S/C10H13NO4/c1-7(12)11-9(10(13)14-2)6-8-4-3-5-15-8/h3-5,9H,6H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeySRLVUUFDVOHDTI-SECBINFHSA-N
MW211.22 g/mol
LogP0.50
Rot. Bonds4

About methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate

methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate (PubChem CID 10921781) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-3-(furan-2-yl)propanoate
PubChem CID10921781
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl (2R)-2-acetamido-3-(furan-2-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccco1)NC(C)=O
InChIInChI=1S/C10H13NO4/c1-7(12)11-9(10(13)14-2)6-8-4-3-5-15-8/h3-5,9H,6H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeySRLVUUFDVOHDTI-SECBINFHSA-N
XLogP0.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate?
The IUPAC name of methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate (CID 10921781) is methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate?
The canonical SMILES for methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate is COC(=O)[C@@H](Cc1ccco1)NC(C)=O.
What is the InChIKey of methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate?
The InChIKey is SRLVUUFDVOHDTI-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(12)11-9(10(13)14-2)6-8-4-3-5-15-8/h3-5,9H,6H2,1-2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate?
methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate has a molecular weight of 211.22 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamido-3-(furan-2-yl)propanoate is sourced from PubChem (CID 10921781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).