2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid

C15H22N2O4 — CID 80549715

IUPAC2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(O)CN(C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-10(18)9-17(4)14(21)16-12-7-5-11(6-8-12)15(2,3)13(19)20/h5-8,10,18H,9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyCONHVGRLPXQCSK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid

2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 80549715) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID80549715
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(O)CN(C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-10(18)9-17(4)14(21)16-12-7-5-11(6-8-12)15(2,3)13(19)20/h5-8,10,18H,9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyCONHVGRLPXQCSK-UHFFFAOYSA-N
XLogP1.89
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80554758
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
2-methyl-2-[4-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]phenyl]propanoic acid
CID 115986439
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
3-(4-tert-butylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578802
2-methyl-2-[4-(2,3,3-trimethylbutanoylamino)phenyl]propanoic acid
CID 120688065
3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 55061089
2-methyl-2-[4-(pentanoylamino)phenyl]propanoic acid
CID 80554792
2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid
CID 104903758
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid (CID 80549715) is 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid is CC(O)CN(C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is CONHVGRLPXQCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(18)9-17(4)14(21)16-12-7-5-11(6-8-12)15(2,3)13(19)20/h5-8,10,18H,9H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid?
2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 80549715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).