methyl (2R)-2-acetamido-3-chloropropanoate

C6H10ClNO3 — CID 13178877

IUPACmethyl (2R)-2-acetamido-3-chloropropanoate
SMILESCOC(=O)[C@H](CCl)NC(C)=O
InChIInChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyIGKDMFMKAAPDDN-YFKPBYRVSA-N
MW179.60 g/mol
LogP-0.10
Rot. Bonds3

About methyl (2R)-2-acetamido-3-chloropropanoate

methyl (2R)-2-acetamido-3-chloropropanoate (PubChem CID 13178877) has the molecular formula C6H10ClNO3 and a molecular weight of 179.60 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-3-chloropropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-3-chloropropanoate
PubChem CID13178877
Molecular FormulaC6H10ClNO3
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Namemethyl (2R)-2-acetamido-3-chloropropanoate
SMILESCOC(=O)[C@H](CCl)NC(C)=O
InChIInChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyIGKDMFMKAAPDDN-YFKPBYRVSA-N
XLogP-0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-3-chloropropanoate?
The IUPAC name of methyl (2R)-2-acetamido-3-chloropropanoate (CID 13178877) is methyl (2R)-2-acetamido-3-chloropropanoate.
What is the SMILES notation for methyl (2R)-2-acetamido-3-chloropropanoate?
The canonical SMILES for methyl (2R)-2-acetamido-3-chloropropanoate is COC(=O)[C@H](CCl)NC(C)=O.
What is the InChIKey of methyl (2R)-2-acetamido-3-chloropropanoate?
The InChIKey is IGKDMFMKAAPDDN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of methyl (2R)-2-acetamido-3-chloropropanoate?
methyl (2R)-2-acetamido-3-chloropropanoate has a molecular weight of 179.60 g/mol, XLogP of -0.10, 3 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-chloropropanoate is sourced from PubChem (CID 13178877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).