2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide

C12H15NO4 — CID 113368387

IUPAC2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
SMILESO=C(NC1(CO)CCC1)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO4/c14-7-12(4-1-5-12)13-11(17)9-3-2-8(15)6-10(9)16/h2-3,6,14-16H,1,4-5,7H2,(H,13,17)
InChIKeyPPTLFMVKAPEEFL-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.74
Rot. Bonds3

About 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide

2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide (PubChem CID 113368387) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
PubChem CID113368387
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
SMILESO=C(NC1(CO)CCC1)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO4/c14-7-12(4-1-5-12)13-11(17)9-3-2-8(15)6-10(9)16/h2-3,6,14-16H,1,4-5,7H2,(H,13,17)
InChIKeyPPTLFMVKAPEEFL-UHFFFAOYSA-N
XLogP0.74
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115883957
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
N-[4-(chloromethyl)oxan-4-yl]-2,4-dihydroxybenzamide
CID 106300280
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide
CID 107677747
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 104630770

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide (CID 113368387) is 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide is O=C(NC1(CO)CCC1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The InChIKey is PPTLFMVKAPEEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-7-12(4-1-5-12)13-11(17)9-3-2-8(15)6-10(9)16/h2-3,6,14-16H,1,4-5,7H2,(H,13,17).
What are the key properties of 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide has a molecular weight of 237.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide is sourced from PubChem (CID 113368387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).