2-[hydroxy(pyridin-2-yl)methyl]butanoic acid

C10H13NO3 — CID 69336953

IUPAC2-[hydroxy(pyridin-2-yl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(O)c1ccccn1
InChIInChI=1S/C10H13NO3/c1-2-7(10(13)14)9(12)8-5-3-4-6-11-8/h3-7,9,12H,2H2,1H3,(H,13,14)
InChIKeyBTFFLDPQPRRTMR-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.23
Rot. Bonds4

About 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid

2-[hydroxy(pyridin-2-yl)methyl]butanoic acid (PubChem CID 69336953) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[hydroxy(pyridin-2-yl)methyl]butanoic acid
PubChem CID69336953
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[hydroxy(pyridin-2-yl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(O)c1ccccn1
InChIInChI=1S/C10H13NO3/c1-2-7(10(13)14)9(12)8-5-3-4-6-11-8/h3-7,9,12H,2H2,1H3,(H,13,14)
InChIKeyBTFFLDPQPRRTMR-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid?
The IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid (CID 69336953) is 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid?
The canonical SMILES for 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid is CCC(C(=O)O)C(O)c1ccccn1.
What is the InChIKey of 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid?
The InChIKey is BTFFLDPQPRRTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-7(10(13)14)9(12)8-5-3-4-6-11-8/h3-7,9,12H,2H2,1H3,(H,13,14).
What are the key properties of 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid?
2-[hydroxy(pyridin-2-yl)methyl]butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(pyridin-2-yl)methyl]butanoic acid is sourced from PubChem (CID 69336953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).