2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid

C14H17Cl2NO4 — CID 119200838

IUPAC2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H17Cl2NO4/c1-8(12(18)17(4)14(2,3)13(19)20)21-10-7-5-6-9(15)11(10)16/h5-8H,1-4H3,(H,19,20)
InChIKeyGJBXIVSTMAQVFQ-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.08
Rot. Bonds5

About 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid

2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 119200838) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
PubChem CID119200838
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H17Cl2NO4/c1-8(12(18)17(4)14(2,3)13(19)20)21-10-7-5-6-9(15)11(10)16/h5-8H,1-4H3,(H,19,20)
InChIKeyGJBXIVSTMAQVFQ-UHFFFAOYSA-N
XLogP3.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200706
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119656929
(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 55688158
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
2-[2-(2,3-dichlorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199788
1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
CID 60624707
2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62822338
2-[3-(2-chlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817927
2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
CID 79356464
2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 119037053
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid (CID 119200838) is 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid is CC(Oc1cccc(Cl)c1Cl)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is GJBXIVSTMAQVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-8(12(18)17(4)14(2,3)13(19)20)21-10-7-5-6-9(15)11(10)16/h5-8H,1-4H3,(H,19,20).
What are the key properties of 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid?
2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 334.20 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).