3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C15H22N2O5 — CID 122077710

IUPAC3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCC(C)Oc1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C15H22N2O5/c1-4-10(2)22-12-7-5-11(6-8-12)17-14(20)16-9-15(3,21)13(18)19/h5-8,10,21H,4,9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyVSAFIIAJPDXRFI-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.82
Rot. Bonds7

About 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122077710) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122077710
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCC(C)Oc1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C15H22N2O5/c1-4-10(2)22-12-7-5-11(6-8-12)17-14(20)16-9-15(3,21)13(18)19/h5-8,10,21H,4,9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyVSAFIIAJPDXRFI-UHFFFAOYSA-N
XLogP1.82
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 66174903
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea
CID 111474234
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid
CID 122074429
5-(4-butan-2-yloxyanilino)-5-oxopentanoic acid
CID 17160602
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
3-[(6-butoxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090495
3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122078377
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122077710) is 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CCC(C)Oc1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1.
What is the InChIKey of 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is VSAFIIAJPDXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-4-10(2)22-12-7-5-11(6-8-12)17-14(20)16-9-15(3,21)13(18)19/h5-8,10,21H,4,9H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 310.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122077710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).