2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid

C9H13Cl2NO4 — CID 115596423

IUPAC2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C9H13Cl2NO4/c1-16-3-2-12(5-7(13)14)8(15)6-4-9(6,10)11/h6H,2-5H2,1H3,(H,13,14)
InChIKeyAFWINAJHTRATQQ-UHFFFAOYSA-N
MW270.11 g/mol
LogP0.74
Rot. Bonds6

About 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 115596423) has the molecular formula C9H13Cl2NO4 and a molecular weight of 270.11 g/mol. Its IUPAC name is 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID115596423
Molecular FormulaC9H13Cl2NO4
Molecular Weight270.11 g/mol
Exact Mass269.02
IUPAC Name2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C9H13Cl2NO4/c1-16-3-2-12(5-7(13)14)8(15)6-4-9(6,10)11/h6H,2-5H2,1H3,(H,13,14)
InChIKeyAFWINAJHTRATQQ-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 50.74
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

2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid
CID 119348007
2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid
CID 80593689
2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
CID 119348210
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid
CID 125118927
2-[2-methoxyethyl-(2-methylpyrrolidine-2-carbonyl)amino]acetic acid
CID 79271494
2-[2-methoxyethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
CID 65157378
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid (CID 115596423) is 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is AFWINAJHTRATQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO4/c1-16-3-2-12(5-7(13)14)8(15)6-4-9(6,10)11/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 270.11 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 115596423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).