5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid

C14H19NO3 — CID 78911171

IUPAC5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
SMILESCc1ccccc1CCNC(=O)CCCC(=O)O
InChIInChI=1S/C14H19NO3/c1-11-5-2-3-6-12(11)9-10-15-13(16)7-4-8-14(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyAMZZLRPZLXCCIT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds7

About 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid

5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 78911171) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
PubChem CID78911171
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
SMILESCc1ccccc1CCNC(=O)CCCC(=O)O
InChIInChI=1S/C14H19NO3/c1-11-5-2-3-6-12(11)9-10-15-13(16)7-4-8-14(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyAMZZLRPZLXCCIT-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
5-[2-(5-bromo-2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 115163884
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790
5-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 103256373
4-[2-[2-[(2-methylphenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20991369
N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536
N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 18114572
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
4-[2-[3-(2-methylphenyl)propanoylamino]ethyl]benzoic acid
CID 119168685
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid (CID 78911171) is 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid is Cc1ccccc1CCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is AMZZLRPZLXCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-5-2-3-6-12(11)9-10-15-13(16)7-4-8-14(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid?
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 78911171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).