2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid

C14H20N2O4 — CID 66174047

IUPAC2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCC(C)c1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(2)10-4-6-11(7-5-10)16-13(19)15-8-14(3,20)12(17)18/h4-7,9,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyLTJMZQHHHAIOSZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.77
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid

2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid (PubChem CID 66174047) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
PubChem CID66174047
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCC(C)c1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(2)10-4-6-11(7-5-10)16-13(19)15-8-14(3,20)12(17)18/h4-7,9,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyLTJMZQHHHAIOSZ-UHFFFAOYSA-N
XLogP1.77
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077710
2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid
CID 122074429
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 66174903
3-[(3,5-dimethoxy-4-propan-2-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089146
3-[[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077148
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62669376
2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 66172185
1-(5-hydroxy-4,4-dimethylpentyl)-3-(4-propan-2-ylphenyl)urea
CID 111472850
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid (CID 66174047) is 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid is CC(C)c1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The InChIKey is LTJMZQHHHAIOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)10-4-6-11(7-5-10)16-13(19)15-8-14(3,20)12(17)18/h4-7,9,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 66174047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).