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

C15H20ClNO4 — CID 82010449

IUPAC5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCc1ccc(Cl)c(OCC(=O)NCC(C)CCC(=O)O)c1
InChIInChI=1S/C15H20ClNO4/c1-10-3-5-12(16)13(7-10)21-9-14(18)17-8-11(2)4-6-15(19)20/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCZTYRHOGNLOQMX-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.64
Rot. Bonds8

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

5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid (PubChem CID 82010449) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
PubChem CID82010449
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCc1ccc(Cl)c(OCC(=O)NCC(C)CCC(=O)O)c1
InChIInChI=1S/C15H20ClNO4/c1-10-3-5-12(16)13(7-10)21-9-14(18)17-8-11(2)4-6-15(19)20/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCZTYRHOGNLOQMX-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

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82009951
2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66109028
2-(2-chloro-5-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726337
2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160697
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 81064088

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid (CID 82010449) is 5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid is Cc1ccc(Cl)c(OCC(=O)NCC(C)CCC(=O)O)c1.
What is the InChIKey of 5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is CZTYRHOGNLOQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10-3-5-12(16)13(7-10)21-9-14(18)17-8-11(2)4-6-15(19)20/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid?
5-[[2-(2-chloro-5-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-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82010449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).