2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid

C15H18ClNO4 — CID 119189714

IUPAC2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO4/c1-21-6-5-17(9-14(18)19)15(20)13-8-12(13)10-3-2-4-11(16)7-10/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyLCSYPFUWKMKTOS-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.00
Rot. Bonds7

About 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189714) has the molecular formula C15H18ClNO4 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189714
Molecular FormulaC15H18ClNO4
Molecular Weight311.77 g/mol
Exact Mass311.09
IUPAC Name2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO4/c1-21-6-5-17(9-14(18)19)15(20)13-8-12(13)10-3-2-4-11(16)7-10/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyLCSYPFUWKMKTOS-UHFFFAOYSA-N
XLogP2.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid (CID 119189714) is 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CC1c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is LCSYPFUWKMKTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-21-6-5-17(9-14(18)19)15(20)13-8-12(13)10-3-2-4-11(16)7-10/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 311.77 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).