5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid

C15H20ClNO4 — CID 82009951

IUPAC5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCc1cc(OCC(=O)NCC(C)CCC(=O)O)ccc1Cl
InChIInChI=1S/C15H20ClNO4/c1-10(3-6-15(19)20)8-17-14(18)9-21-12-4-5-13(16)11(2)7-12/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFJYDRVHYUHIRLI-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.64
Rot. Bonds8

About 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid

5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid (PubChem CID 82009951) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
PubChem CID82009951
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCc1cc(OCC(=O)NCC(C)CCC(=O)O)ccc1Cl
InChIInChI=1S/C15H20ClNO4/c1-10(3-6-15(19)20)8-17-14(18)9-21-12-4-5-13(16)11(2)7-12/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFJYDRVHYUHIRLI-UHFFFAOYSA-N
XLogP2.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82010449
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
CID 119497344
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide
CID 39835153
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799085
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107823155

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid (CID 82009951) is 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid is Cc1cc(OCC(=O)NCC(C)CCC(=O)O)ccc1Cl.
What is the InChIKey of 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is FJYDRVHYUHIRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10(3-6-15(19)20)8-17-14(18)9-21-12-4-5-13(16)11(2)7-12/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid?
5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 313.78 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82009951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).