methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate

C12H14ClNO3 — CID 11097169

IUPACmethyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(C)=O
InChIInChI=1S/C12H14ClNO3/c1-8(15)14-11(12(16)17-2)7-9-3-5-10(13)6-4-9/h3-6,11H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyZMMRWWNITIYRGX-LLVKDONJSA-N
MW255.70 g/mol
LogP1.56
Rot. Bonds4

About methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate

methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate (PubChem CID 11097169) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate
PubChem CID11097169
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Namemethyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(C)=O
InChIInChI=1S/C12H14ClNO3/c1-8(15)14-11(12(16)17-2)7-9-3-5-10(13)6-4-9/h3-6,11H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyZMMRWWNITIYRGX-LLVKDONJSA-N
XLogP1.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate (CID 11097169) is methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate is COC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(C)=O.
What is the InChIKey of methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate?
The InChIKey is ZMMRWWNITIYRGX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8(15)14-11(12(16)17-2)7-9-3-5-10(13)6-4-9/h3-6,11H,7H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate?
methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate has a molecular weight of 255.70 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamido-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 11097169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).