2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid

C14H19NO3 — CID 103251531

IUPAC2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNCC(O)C2CC2)cc1
InChIInChI=1S/C14H19NO3/c16-13(12-5-6-12)9-15-8-11-3-1-10(2-4-11)7-14(17)18/h1-4,12-13,15-16H,5-9H2,(H,17,18)
InChIKeyCHPJECRLBBOTBO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.17
Rot. Bonds7

About 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid

2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid (PubChem CID 103251531) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid
PubChem CID103251531
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNCC(O)C2CC2)cc1
InChIInChI=1S/C14H19NO3/c16-13(12-5-6-12)9-15-8-11-3-1-10(2-4-11)7-14(17)18/h1-4,12-13,15-16H,5-9H2,(H,17,18)
InChIKeyCHPJECRLBBOTBO-UHFFFAOYSA-N
XLogP1.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894664
2-(benzylamino)-1-cyclohexylethanol
CID 14342015
1-cyclopentyl-2-[(4-fluorophenyl)methylamino]ethanol
CID 111425447
2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid
CID 103268434
2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
CID 63296306
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide
CID 63294554
2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103251563
2-[4-[(4-hydroxypentylamino)methyl]phenyl]acetic acid
CID 114148480
2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid
CID 120537806
2-[4-[[[(1R)-1-cycloheptylethyl]amino]methyl]phenyl]acetic acid
CID 103257924

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid (CID 103251531) is 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CNCC(O)C2CC2)cc1.
What is the InChIKey of 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid?
The InChIKey is CHPJECRLBBOTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(12-5-6-12)9-15-8-11-3-1-10(2-4-11)7-14(17)18/h1-4,12-13,15-16H,5-9H2,(H,17,18).
What are the key properties of 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid?
2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 103251531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).