2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid

C15H21NO4 — CID 43630623

IUPAC2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)C(C)Oc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-5-13(15(18)19)16-14(17)11(3)20-12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQKGPXDZVOBQOBD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.13
Rot. Bonds7

About 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid

2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid (PubChem CID 43630623) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
PubChem CID43630623
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)C(C)Oc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-5-13(15(18)19)16-14(17)11(3)20-12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQKGPXDZVOBQOBD-UHFFFAOYSA-N
XLogP2.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenoxy)propanoylamino]butanoic acid
CID 43387334
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-2-[2-(4-chlorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107823311
(2S)-2-(2-phenoxypropanoylamino)pentanedioic acid
CID 61152729
2-[2-(4-methylsulfanylphenoxy)propanoylamino]butanoic acid
CID 119223994
N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
4-methylsulfanyl-2-(2-phenoxypropanoylamino)butanoic acid
CID 43091787
2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid
CID 43113710
(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790
3-methylsulfanyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 110189852

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid?
The IUPAC name of 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid (CID 43630623) is 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid?
The canonical SMILES for 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid is CCCC(NC(=O)C(C)Oc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid?
The InChIKey is QKGPXDZVOBQOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-5-13(15(18)19)16-14(17)11(3)20-12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid?
2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid is sourced from PubChem (CID 43630623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).