2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid

C12H15ClN2O3 — CID 107142177

IUPAC2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid
SMILESCOc1ccc(Cl)cc1NC1(CC(=O)O)CNC1
InChIInChI=1S/C12H15ClN2O3/c1-18-10-3-2-8(13)4-9(10)15-12(5-11(16)17)6-14-7-12/h2-4,14-15H,5-7H2,1H3,(H,16,17)
InChIKeyMYQGQDGIZWEDBH-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.58
Rot. Bonds5

About 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid

2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid (PubChem CID 107142177) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid
PubChem CID107142177
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid
SMILESCOc1ccc(Cl)cc1NC1(CC(=O)O)CNC1
InChIInChI=1S/C12H15ClN2O3/c1-18-10-3-2-8(13)4-9(10)15-12(5-11(16)17)6-14-7-12/h2-4,14-15H,5-7H2,1H3,(H,16,17)
InChIKeyMYQGQDGIZWEDBH-UHFFFAOYSA-N
XLogP1.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2959876
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N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
3-(5-chloro-2-methoxyanilino)-2,2-dimethylpropanoic acid
CID 79630107
2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 112515035
2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide
CID 57209393
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507464
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61013224

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid (CID 107142177) is 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid is COc1ccc(Cl)cc1NC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid?
The InChIKey is MYQGQDGIZWEDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-18-10-3-2-8(13)4-9(10)15-12(5-11(16)17)6-14-7-12/h2-4,14-15H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid?
2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid has a molecular weight of 270.72 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).