2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid

C15H20ClNO4 — CID 43618948

IUPAC2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C(C)Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-4-9-15(3,14(19)20)17-13(18)10(2)21-12-7-5-11(16)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyIAAAKXUUVMHUSS-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.87
Rot. Bonds7

About 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid

2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid (PubChem CID 43618948) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid
PubChem CID43618948
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C(C)Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-4-9-15(3,14(19)20)17-13(18)10(2)21-12-7-5-11(16)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyIAAAKXUUVMHUSS-UHFFFAOYSA-N
XLogP2.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43618755
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145731
2-(4-chlorophenoxy)propanoic acid;2,2-dichloropropanoic acid
CID 67571013
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
2-[2-(2,3-dichlorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199788
methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate
CID 55793330
methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate
CID 78869482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid (CID 43618948) is 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)C(C)Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid?
The InChIKey is IAAAKXUUVMHUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-4-9-15(3,14(19)20)17-13(18)10(2)21-12-7-5-11(16)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid?
2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid has a molecular weight of 313.78 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43618948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).