2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid

C13H17NO3 — CID 102863255

IUPAC2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1N(CCO)C1CCC1
InChIInChI=1S/C13H17NO3/c15-9-8-14(10-4-3-5-10)12-7-2-1-6-11(12)13(16)17/h1-2,6-7,10,15H,3-5,8-9H2,(H,16,17)
InChIKeyNOVSKLMBBAVOSQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.74
Rot. Bonds5

About 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid

2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid (PubChem CID 102863255) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
PubChem CID102863255
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1N(CCO)C1CCC1
InChIInChI=1S/C13H17NO3/c15-9-8-14(10-4-3-5-10)12-7-2-1-6-11(12)13(16)17/h1-2,6-7,10,15H,3-5,8-9H2,(H,16,17)
InChIKeyNOVSKLMBBAVOSQ-UHFFFAOYSA-N
XLogP1.74
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
3-[cyclopentyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 115542324
3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062667
2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
CID 102868412
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54994907
2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
CID 115545488
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
2-[cyclopropyl(2-hydroxyethyl)amino]-5-nitrobenzoic acid
CID 54994781
4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244159
4-[cyclobutyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 102863218

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid (CID 102863255) is 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid is O=C(O)c1ccccc1N(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid?
The InChIKey is NOVSKLMBBAVOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-8-14(10-4-3-5-10)12-7-2-1-6-11(12)13(16)17/h1-2,6-7,10,15H,3-5,8-9H2,(H,16,17).
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid?
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid is sourced from PubChem (CID 102863255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).