methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate

C8H14ClNO4 — CID 103492943

IUPACmethyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate
SMILESCCOCC(=O)NCC(Cl)C(=O)OC
InChIInChI=1S/C8H14ClNO4/c1-3-14-5-7(11)10-4-6(9)8(12)13-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyFADNCGRKFDXVFM-UHFFFAOYSA-N
MW223.66 g/mol
LogP-0.08
Rot. Bonds6

About methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate

methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate (PubChem CID 103492943) has the molecular formula C8H14ClNO4 and a molecular weight of 223.66 g/mol. Its IUPAC name is methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate
PubChem CID103492943
Molecular FormulaC8H14ClNO4
Molecular Weight223.66 g/mol
Exact Mass223.06
IUPAC Namemethyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate
SMILESCCOCC(=O)NCC(Cl)C(=O)OC
InChIInChI=1S/C8H14ClNO4/c1-3-14-5-7(11)10-4-6(9)8(12)13-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyFADNCGRKFDXVFM-UHFFFAOYSA-N
XLogP-0.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(2-methoxypropyl)acetamide
CID 102701044
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
CID 107156886
methyl 2-chloro-3-(decanoylamino)propanoate
CID 103492807
(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
CID 107833755
2-ethoxy-N-(2-ethoxypropyl)acetamide
CID 115648995
3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
CID 62675487
methyl 2-chloro-3-(2-methylpentanoylamino)propanoate
CID 103492896
methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 103492759
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
3-[(2-ethoxyacetyl)amino]propanamide
CID 64591348

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate (CID 103492943) is methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate is CCOCC(=O)NCC(Cl)C(=O)OC.
What is the InChIKey of methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate?
The InChIKey is FADNCGRKFDXVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO4/c1-3-14-5-7(11)10-4-6(9)8(12)13-2/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate?
methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate has a molecular weight of 223.66 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate is sourced from PubChem (CID 103492943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).