3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid

C14H19NO4 — CID 82329874

IUPAC3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCO)CC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-11(14(18)19)9-15(7-8-16)10-13(17)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,18,19)
InChIKeyBBUSGXUZRJNIKT-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.88
Rot. Bonds8

About 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid

3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid (PubChem CID 82329874) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid
PubChem CID82329874
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCO)CC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-11(14(18)19)9-15(7-8-16)10-13(17)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,18,19)
InChIKeyBBUSGXUZRJNIKT-UHFFFAOYSA-N
XLogP0.88
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329885
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481236
2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
CID 82328998
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
2-(dipropylamino)-1-(4-phenylphenyl)ethanone
CID 82051052
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid (CID 82329874) is 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid is CC(CN(CCO)CC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid?
The InChIKey is BBUSGXUZRJNIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11(14(18)19)9-15(7-8-16)10-13(17)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,18,19).
What are the key properties of 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid?
3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82329874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).