2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid

C15H19NO3 — CID 80554847

IUPAC2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)CC2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-15(2,14(18)19)11-5-7-12(8-6-11)16-13(17)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUQZCWZPHMMVXFE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid

2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 80554847) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID80554847
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)CC2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-15(2,14(18)19)11-5-7-12(8-6-11)16-13(17)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUQZCWZPHMMVXFE-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-[[2-(oxan-2-yl)acetyl]amino]phenyl]propanoic acid
CID 120688056
2-cyclopropyl-N-phenylacetamide
CID 60753326
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253886
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
2-methyl-2-[4-(pentanoylamino)phenyl]propanoic acid
CID 80554792
2-methyl-2-[4-[3-(methylamino)propanoylamino]phenyl]propanoic acid
CID 80554677
2-cyclopropyl-N-(4-sulfanylphenyl)acetamide
CID 68600520
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554890
2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid
CID 80549547
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid (CID 80554847) is 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)CC2CC2)cc1.
What is the InChIKey of 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is UQZCWZPHMMVXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,14(18)19)11-5-7-12(8-6-11)16-13(17)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid?
2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 80554847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).