2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid

C15H20ClNO4 — CID 119200706

IUPAC2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCc1ccc(Cl)c(OC(C)C(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H20ClNO4/c1-9-6-7-11(16)12(8-9)21-10(2)13(18)17(5)15(3,4)14(19)20/h6-8,10H,1-5H3,(H,19,20)
InChIKeyFQZDNPCKMYVUKV-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid

2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 119200706) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
PubChem CID119200706
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCc1ccc(Cl)c(OC(C)C(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H20ClNO4/c1-9-6-7-11(16)12(8-9)21-10(2)13(18)17(5)15(3,4)14(19)20/h6-8,10H,1-5H3,(H,19,20)
InChIKeyFQZDNPCKMYVUKV-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200838
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 119656231
(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 94207951
3-[2-(2-chloro-5-methylphenoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207616
(2R)-2-(2-chloro-5-methylphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 94638078
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
CID 146122600
2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60623563
1-chloro-2-(1-iodoethoxy)-4-methylbenzene
CID 130224829
N-[3,3-bis(hydroxymethyl)cyclobutyl]-2-(2-chloro-5-methylphenoxy)propanamide
CID 167827659
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 75385932

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid (CID 119200706) is 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid is Cc1ccc(Cl)c(OC(C)C(=O)N(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is FQZDNPCKMYVUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-9-6-7-11(16)12(8-9)21-10(2)13(18)17(5)15(3,4)14(19)20/h6-8,10H,1-5H3,(H,19,20).
What are the key properties of 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid?
2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 313.78 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).