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

C15H22N2O4 — CID 62329609

IUPAC2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCCC(C)Oc1cccc(NC(=O)NC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-5-10(2)21-12-8-6-7-11(9-12)16-14(20)17-15(3,4)13(18)19/h6-10H,5H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyVOUOWCFMYCAMLS-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.85
Rot. Bonds6

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

2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 62329609) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID62329609
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCCC(C)Oc1cccc(NC(=O)NC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-5-10(2)21-12-8-6-7-11(9-12)16-14(20)17-15(3,4)13(18)19/h6-10H,5H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyVOUOWCFMYCAMLS-UHFFFAOYSA-N
XLogP2.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea
CID 47392400
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
2-(3-butan-2-yloxyanilino)-N-(2-methylbutan-2-yl)acetamide
CID 62328408
2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid
CID 62329438

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid (CID 62329609) is 2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid is CCC(C)Oc1cccc(NC(=O)NC(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is VOUOWCFMYCAMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-10(2)21-12-8-6-7-11(9-12)16-14(20)17-15(3,4)13(18)19/h6-10H,5H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid?
2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62329609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).