methyl (2R)-2-benzamidopropanoate

C11H13NO3 — CID 2724390

IUPACmethyl (2R)-2-benzamidopropanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(11(14)15-2)12-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyQRDFLIILGVFYCF-MRVPVSSYSA-N
MW207.23 g/mol
LogP0.98
Rot. Bonds3

About methyl (2R)-2-benzamidopropanoate

methyl (2R)-2-benzamidopropanoate (PubChem CID 2724390) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl (2R)-2-benzamidopropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-benzamidopropanoate
PubChem CID2724390
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl (2R)-2-benzamidopropanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(11(14)15-2)12-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyQRDFLIILGVFYCF-MRVPVSSYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-benzamidopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-benzamidopropanoate?
The IUPAC name of methyl (2R)-2-benzamidopropanoate (CID 2724390) is methyl (2R)-2-benzamidopropanoate.
What is the SMILES notation for methyl (2R)-2-benzamidopropanoate?
The canonical SMILES for methyl (2R)-2-benzamidopropanoate is COC(=O)[C@@H](C)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-benzamidopropanoate?
The InChIKey is QRDFLIILGVFYCF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(11(14)15-2)12-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of methyl (2R)-2-benzamidopropanoate?
methyl (2R)-2-benzamidopropanoate has a molecular weight of 207.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-benzamidopropanoate is sourced from PubChem (CID 2724390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).