3-[benzyl(2-hydroxyethyl)amino]propanoic acid

C12H17NO3 — CID 43841843

IUPAC3-[benzyl(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c14-9-8-13(7-6-12(15)16)10-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16)
InChIKeyPURWRJDONKZLRE-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.96
Rot. Bonds7

About 3-[benzyl(2-hydroxyethyl)amino]propanoic acid

3-[benzyl(2-hydroxyethyl)amino]propanoic acid (PubChem CID 43841843) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]propanoic acid
PubChem CID43841843
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c14-9-8-13(7-6-12(15)16)10-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16)
InChIKeyPURWRJDONKZLRE-UHFFFAOYSA-N
XLogP0.96
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;3-(dibenzylamino)propanoic acid
CID 162310692
3-[(1-benzylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]propanoic acid
CID 119139161
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653
3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
CID 3787915
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
3-[benzyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330019
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one
CID 46231612
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]propanoic acid (CID 43841843) is 3-[benzyl(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]propanoic acid is O=C(O)CCN(CCO)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is PURWRJDONKZLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-9-8-13(7-6-12(15)16)10-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16).
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]propanoic acid?
3-[benzyl(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 43841843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).