2-[hydroxy(oxan-3-yl)methyl]butanoic acid

C10H18O4 — CID 63740789

IUPAC2-[hydroxy(oxan-3-yl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(O)C1CCCOC1
InChIInChI=1S/C10H18O4/c1-2-8(10(12)13)9(11)7-4-3-5-14-6-7/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyWPXVKJMTXIVHST-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.88
Rot. Bonds4

About 2-[hydroxy(oxan-3-yl)methyl]butanoic acid

2-[hydroxy(oxan-3-yl)methyl]butanoic acid (PubChem CID 63740789) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[hydroxy(oxan-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[hydroxy(oxan-3-yl)methyl]butanoic acid
PubChem CID63740789
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-[hydroxy(oxan-3-yl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(O)C1CCCOC1
InChIInChI=1S/C10H18O4/c1-2-8(10(12)13)9(11)7-4-3-5-14-6-7/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyWPXVKJMTXIVHST-UHFFFAOYSA-N
XLogP0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[hydroxy(oxan-3-yl)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-(oxan-3-yl)butanoic acid
CID 82411862
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]butanoic acid
CID 94426880
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699
3-(oxan-3-yl)pentan-2-one
CID 107135367
3-(oxan-3-yl)pentan-2-ol
CID 107137335
3-pentan-3-yloxane
CID 15620798
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
2-(oxan-3-yl)pentan-3-one
CID 107135382
2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid
CID 63740599
ethyl (3S)-3-hydroxy-3-[(3S)-oxan-3-yl]propanoate
CID 124508739
2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid
CID 103377892
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(oxan-3-yl)methyl]butanoic acid?
The IUPAC name of 2-[hydroxy(oxan-3-yl)methyl]butanoic acid (CID 63740789) is 2-[hydroxy(oxan-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[hydroxy(oxan-3-yl)methyl]butanoic acid?
The canonical SMILES for 2-[hydroxy(oxan-3-yl)methyl]butanoic acid is CCC(C(=O)O)C(O)C1CCCOC1.
What is the InChIKey of 2-[hydroxy(oxan-3-yl)methyl]butanoic acid?
The InChIKey is WPXVKJMTXIVHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-8(10(12)13)9(11)7-4-3-5-14-6-7/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[hydroxy(oxan-3-yl)methyl]butanoic acid?
2-[hydroxy(oxan-3-yl)methyl]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(oxan-3-yl)methyl]butanoic acid is sourced from PubChem (CID 63740789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).