3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

C14H20N2O4 — CID 66175310

IUPAC3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCc1ccc(N(C)C(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-4-10-5-7-11(8-6-10)16(3)13(19)15-9-14(2,20)12(17)18/h5-8,20H,4,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYWRZWBGSYGLCRW-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.23
Rot. Bonds5

About 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66175310) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66175310
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCc1ccc(N(C)C(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-4-10-5-7-11(8-6-10)16(3)13(19)15-9-14(2,20)12(17)18/h5-8,20H,4,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYWRZWBGSYGLCRW-UHFFFAOYSA-N
XLogP1.23
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-cyanophenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175112
2-[[[(4-ethylphenyl)-methylcarbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65221939
2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62003824
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563
3-[4-(dimethylamino)anilino]-2-hydroxy-2-methylpropanoic acid
CID 104643991
2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66175927
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 107737452
N-(4-ethylphenyl)-N-methyl-2-oxopropanamide
CID 115175422

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66175310) is 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is CCc1ccc(N(C)C(=O)NCC(C)(O)C(=O)O)cc1.
What is the InChIKey of 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is YWRZWBGSYGLCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-10-5-7-11(8-6-10)16(3)13(19)15-9-14(2,20)12(17)18/h5-8,20H,4,9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66175310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).