2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid

C11H15NO3 — CID 67022359

IUPAC2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(CO)cn1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-9(11(14)15)5-10-4-3-8(7-13)6-12-10/h3-4,6,9,13H,2,5,7H2,1H3,(H,14,15)
InChIKeyQQLVQQRNYSHVOW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.23
Rot. Bonds5

About 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid

2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid (PubChem CID 67022359) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid
PubChem CID67022359
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(CO)cn1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-9(11(14)15)5-10-4-3-8(7-13)6-12-10/h3-4,6,9,13H,2,5,7H2,1H3,(H,14,15)
InChIKeyQQLVQQRNYSHVOW-UHFFFAOYSA-N
XLogP1.23
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 83067082
[6-(2-methylpropyl)-3-pyridinyl]methanamine
CID 53274665
[6-(aminomethyl)-3-pyridinyl]methanol;dihydrochloride
CID 132888771
2-[(4-butan-2-ylphenyl)methyl]butanoic acid
CID 116930604
(2R)-2-[(3,4-dimethylphenyl)methyl]butanoic acid
CID 94240674
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
[6-[2-(chloroamino)propyl]-3-pyridinyl]methanol;ethane;methyl formate
CID 144584781
2-[[[4-(hydroxymethyl)phenyl]disulfanyl]methyl]butanoic acid
CID 163422381
2-[(5-chloropyrazin-2-yl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 103055126
2-[(4-propan-2-yloxyphenyl)methyl]butanoic acid
CID 116930626
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
[6-[butan-2-yl(ethyl)amino]-3-pyridinyl]methanol
CID 61257475

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid?
The IUPAC name of 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid (CID 67022359) is 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid.
What is the SMILES notation for 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid?
The canonical SMILES for 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid is CCC(Cc1ccc(CO)cn1)C(=O)O.
What is the InChIKey of 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid?
The InChIKey is QQLVQQRNYSHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-9(11(14)15)5-10-4-3-8(7-13)6-12-10/h3-4,6,9,13H,2,5,7H2,1H3,(H,14,15).
What are the key properties of 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid?
2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)-2-pyridinyl]methyl]butanoic acid is sourced from PubChem (CID 67022359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).