methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate

C10H18ClNO4 — CID 115534206

IUPACmethyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)C(C)Cl
InChIInChI=1S/C10H18ClNO4/c1-8(11)10(14)12(6-7-15-2)5-4-9(13)16-3/h8H,4-7H2,1-3H3
InChIKeyHFXDPMOUGFUFSL-UHFFFAOYSA-N
MW251.71 g/mol
LogP0.65
Rot. Bonds7

About methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate

methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate (PubChem CID 115534206) has the molecular formula C10H18ClNO4 and a molecular weight of 251.71 g/mol. Its IUPAC name is methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate
PubChem CID115534206
Molecular FormulaC10H18ClNO4
Molecular Weight251.71 g/mol
Exact Mass251.09
IUPAC Namemethyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)C(C)Cl
InChIInChI=1S/C10H18ClNO4/c1-8(11)10(14)12(6-7-15-2)5-4-9(13)16-3/h8H,4-7H2,1-3H3
InChIKeyHFXDPMOUGFUFSL-UHFFFAOYSA-N
XLogP0.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
CID 78959268
methyl 3-[(3-amino-2-methyl-3-sulfanylidenepropanoyl)-(2-methoxyethyl)amino]propanoate
CID 113330524
methyl 3-[2-chloropropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54875687
methyl 3-[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]propanoate
CID 115534215
methyl 3-[2-cyanobutanoyl(2-methoxyethyl)amino]propanoate
CID 113330459
methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate
CID 115535566
methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
CID 78958993
methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
CID 78958925
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
methyl 3-[(2-chloro-2-fluoroacetyl)-(2-methylpropyl)amino]propanoate
CID 166334711

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate (CID 115534206) is methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)C(C)Cl.
What is the InChIKey of methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate?
The InChIKey is HFXDPMOUGFUFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO4/c1-8(11)10(14)12(6-7-15-2)5-4-9(13)16-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate?
methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate has a molecular weight of 251.71 g/mol, XLogP of 0.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115534206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).