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

C12H15NO3 — CID 62230361

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1N(CCO)C1CC1
InChIInChI=1S/C12H15NO3/c14-8-7-13(9-5-6-9)11-4-2-1-3-10(11)12(15)16/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyZCNRJMXLYAKCRX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.35
Rot. Bonds5

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

2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid (PubChem CID 62230361) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
PubChem CID62230361
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1N(CCO)C1CC1
InChIInChI=1S/C12H15NO3/c14-8-7-13(9-5-6-9)11-4-2-1-3-10(11)12(15)16/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyZCNRJMXLYAKCRX-UHFFFAOYSA-N
XLogP1.35
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54994907
3-[cyclopentyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 115542324
2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
CID 115545488
2-[cyclopropyl(2-hydroxyethyl)amino]-5-nitrobenzoic acid
CID 54994781
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-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 104500447
2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid
CID 61196584

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid (CID 62230361) is 2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid is O=C(O)c1ccccc1N(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid?
The InChIKey is ZCNRJMXLYAKCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-7-13(9-5-6-9)11-4-2-1-3-10(11)12(15)16/h1-4,9,14H,5-8H2,(H,15,16).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid?
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid is sourced from PubChem (CID 62230361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).