4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid

C19H24N2O2 — CID 122045793

IUPAC4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid
SMILESCc1ccnc(C(C)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14-10-11-20-18(12-14)15(2)21-17(8-9-19(22)23)13-16-6-4-3-5-7-16/h3-7,10-12,15,17,21H,8-9,13H2,1-2H3,(H,22,23)
InChIKeyYREMMCYWSZACAN-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.52
Rot. Bonds8

About 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid

4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid (PubChem CID 122045793) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid
PubChem CID122045793
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid
SMILESCc1ccnc(C(C)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14-10-11-20-18(12-14)15(2)21-17(8-9-19(22)23)13-16-6-4-3-5-7-16/h3-7,10-12,15,17,21H,8-9,13H2,1-2H3,(H,22,23)
InChIKeyYREMMCYWSZACAN-UHFFFAOYSA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
CID 122064202
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
CID 122045784
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
CID 120546662

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid (CID 122045793) is 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid is Cc1ccnc(C(C)NC(CCC(=O)O)Cc2ccccc2)c1.
What is the InChIKey of 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid?
The InChIKey is YREMMCYWSZACAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-10-11-20-18(12-14)15(2)21-17(8-9-19(22)23)13-16-6-4-3-5-7-16/h3-7,10-12,15,17,21H,8-9,13H2,1-2H3,(H,22,23).
What are the key properties of 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid?
4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid has a molecular weight of 312.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122045793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).