methyl 2-(2-chloropropanoylamino)propanoate

C7H12ClNO3 — CID 60780321

IUPACmethyl 2-(2-chloropropanoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)Cl
InChIInChI=1S/C7H12ClNO3/c1-4(8)6(10)9-5(2)7(11)12-3/h4-5H,1-3H3,(H,9,10)
InChIKeyJASIXKHMSXLRCI-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.29
Rot. Bonds3

About methyl 2-(2-chloropropanoylamino)propanoate

methyl 2-(2-chloropropanoylamino)propanoate (PubChem CID 60780321) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is methyl 2-(2-chloropropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-chloropropanoylamino)propanoate
PubChem CID60780321
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Namemethyl 2-(2-chloropropanoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)Cl
InChIInChI=1S/C7H12ClNO3/c1-4(8)6(10)9-5(2)7(11)12-3/h4-5H,1-3H3,(H,9,10)
InChIKeyJASIXKHMSXLRCI-UHFFFAOYSA-N
XLogP0.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.29
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 2-(2-chloropropanoylamino)propanoate?
The IUPAC name of methyl 2-(2-chloropropanoylamino)propanoate (CID 60780321) is methyl 2-(2-chloropropanoylamino)propanoate.
What is the SMILES notation for methyl 2-(2-chloropropanoylamino)propanoate?
The canonical SMILES for methyl 2-(2-chloropropanoylamino)propanoate is COC(=O)C(C)NC(=O)C(C)Cl.
What is the InChIKey of methyl 2-(2-chloropropanoylamino)propanoate?
The InChIKey is JASIXKHMSXLRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO3/c1-4(8)6(10)9-5(2)7(11)12-3/h4-5H,1-3H3,(H,9,10).
What are the key properties of methyl 2-(2-chloropropanoylamino)propanoate?
methyl 2-(2-chloropropanoylamino)propanoate has a molecular weight of 193.63 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloropropanoylamino)propanoate is sourced from PubChem (CID 60780321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).