4-hydroxy-2-pyridin-2-ylpentanoic acid

C10H13NO3 — CID 24976010

IUPAC4-hydroxy-2-pyridin-2-ylpentanoic acid
SMILESCC(O)CC(C(=O)O)c1ccccn1
InChIInChI=1S/C10H13NO3/c1-7(12)6-8(10(13)14)9-4-2-3-5-11-9/h2-5,7-8,12H,6H2,1H3,(H,13,14)
InChIKeyWRKOKRTZMSIELX-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.02
Rot. Bonds4

About 4-hydroxy-2-pyridin-2-ylpentanoic acid

4-hydroxy-2-pyridin-2-ylpentanoic acid (PubChem CID 24976010) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-2-pyridin-2-ylpentanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-pyridin-2-ylpentanoic acid
PubChem CID24976010
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-hydroxy-2-pyridin-2-ylpentanoic acid
SMILESCC(O)CC(C(=O)O)c1ccccn1
InChIInChI=1S/C10H13NO3/c1-7(12)6-8(10(13)14)9-4-2-3-5-11-9/h2-5,7-8,12H,6H2,1H3,(H,13,14)
InChIKeyWRKOKRTZMSIELX-UHFFFAOYSA-N
XLogP1.02
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-ylbutanedioic acid
CID 67462885
3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241514
3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241497
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
4-ethyl-2-pyridin-2-ylhexan-3-one
CID 66448746
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294
2-pyridin-2-yloctadec-9-enoic acid
CID 67887728
(3S,4R)-4-hydroxy-3-methyl-4-pyridin-2-ylbutan-2-one
CID 130697576

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pyridin-2-ylpentanoic acid?
The IUPAC name of 4-hydroxy-2-pyridin-2-ylpentanoic acid (CID 24976010) is 4-hydroxy-2-pyridin-2-ylpentanoic acid.
What is the SMILES notation for 4-hydroxy-2-pyridin-2-ylpentanoic acid?
The canonical SMILES for 4-hydroxy-2-pyridin-2-ylpentanoic acid is CC(O)CC(C(=O)O)c1ccccn1.
What is the InChIKey of 4-hydroxy-2-pyridin-2-ylpentanoic acid?
The InChIKey is WRKOKRTZMSIELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(12)6-8(10(13)14)9-4-2-3-5-11-9/h2-5,7-8,12H,6H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-2-pyridin-2-ylpentanoic acid?
4-hydroxy-2-pyridin-2-ylpentanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-pyridin-2-ylpentanoic acid is sourced from PubChem (CID 24976010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).