4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid

C12H18N2O3 — CID 115122785

IUPAC4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
SMILESO=C(O)CCC(O)CNCCc1ccncc1
InChIInChI=1S/C12H18N2O3/c15-11(1-2-12(16)17)9-14-8-5-10-3-6-13-7-4-10/h3-4,6-7,11,14-15H,1-2,5,8-9H2,(H,16,17)
InChIKeyRKWPAGUBZUBBGH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.44
Rot. Bonds8

About 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid

4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid (PubChem CID 115122785) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
PubChem CID115122785
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
SMILESO=C(O)CCC(O)CNCCc1ccncc1
InChIInChI=1S/C12H18N2O3/c15-11(1-2-12(16)17)9-14-8-5-10-3-6-13-7-4-10/h3-4,6-7,11,14-15H,1-2,5,8-9H2,(H,16,17)
InChIKeyRKWPAGUBZUBBGH-UHFFFAOYSA-N
XLogP0.44
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid
CID 115122769
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 64890850
4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid
CID 115122682
3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid
CID 103239880
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981
1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol
CID 63296814
2-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetic acid
CID 103239967
5-[(4-bromophenyl)methylamino]-4-hydroxypentanoic acid
CID 115122675
1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
CID 60908753
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
CID 60902535

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid?
The IUPAC name of 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid (CID 115122785) is 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid.
What is the SMILES notation for 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid?
The canonical SMILES for 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid is O=C(O)CCC(O)CNCCc1ccncc1.
What is the InChIKey of 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid?
The InChIKey is RKWPAGUBZUBBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-11(1-2-12(16)17)9-14-8-5-10-3-6-13-7-4-10/h3-4,6-7,11,14-15H,1-2,5,8-9H2,(H,16,17).
What are the key properties of 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid?
4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid has a molecular weight of 238.29 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid is sourced from PubChem (CID 115122785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).