ethyl 2-(2-chloropropanoylamino)acetate

C7H12ClNO3 — CID 60811476

IUPACethyl 2-(2-chloropropanoylamino)acetate
SMILESCCOC(=O)CNC(=O)C(C)Cl
InChIInChI=1S/C7H12ClNO3/c1-3-12-6(10)4-9-7(11)5(2)8/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyMBYPFPPHDGAZTI-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.29
Rot. Bonds4

About ethyl 2-(2-chloropropanoylamino)acetate

ethyl 2-(2-chloropropanoylamino)acetate (PubChem CID 60811476) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is ethyl 2-(2-chloropropanoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloropropanoylamino)acetate
PubChem CID60811476
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Nameethyl 2-(2-chloropropanoylamino)acetate
SMILESCCOC(=O)CNC(=O)C(C)Cl
InChIInChI=1S/C7H12ClNO3/c1-3-12-6(10)4-9-7(11)5(2)8/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyMBYPFPPHDGAZTI-UHFFFAOYSA-N
XLogP0.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

CID 287006
CID 287006
CID 262730
CID 262730
CID 2387220
CID 2387220
CID 179518
CID 179518
CID 243559
CID 243559
CID 4658327
CID 4658327
CID 16787366
CID 16787366
CID 3338030
CID 3338030
CID 3320103
CID 3320103
CID 13059636
CID 13059636
CID 36691031
CID 36691031
CID 24696243
CID 24696243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloropropanoylamino)acetate?
The IUPAC name of ethyl 2-(2-chloropropanoylamino)acetate (CID 60811476) is ethyl 2-(2-chloropropanoylamino)acetate.
What is the SMILES notation for ethyl 2-(2-chloropropanoylamino)acetate?
The canonical SMILES for ethyl 2-(2-chloropropanoylamino)acetate is CCOC(=O)CNC(=O)C(C)Cl.
What is the InChIKey of ethyl 2-(2-chloropropanoylamino)acetate?
The InChIKey is MBYPFPPHDGAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO3/c1-3-12-6(10)4-9-7(11)5(2)8/h5H,3-4H2,1-2H3,(H,9,11).
What are the key properties of ethyl 2-(2-chloropropanoylamino)acetate?
ethyl 2-(2-chloropropanoylamino)acetate has a molecular weight of 193.63 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloropropanoylamino)acetate is sourced from PubChem (CID 60811476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).