2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid

C15H15BrN2O3 — CID 81266952

IUPAC2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Nc1ccc2cc(Br)ccc2c1)C(=O)O
InChIInChI=1S/C15H15BrN2O3/c1-15(2,13(19)20)18-14(21)17-12-6-4-9-7-11(16)5-3-10(9)8-12/h3-8H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyFYXYRSYEODCELE-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.59
Rot. Bonds3

About 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid

2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 81266952) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
PubChem CID81266952
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Nc1ccc2cc(Br)ccc2c1)C(=O)O
InChIInChI=1S/C15H15BrN2O3/c1-15(2,13(19)20)18-14(21)17-12-6-4-9-7-11(16)5-3-10(9)8-12/h3-8H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyFYXYRSYEODCELE-UHFFFAOYSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid
CID 61266732
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 82858703
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62813765
N-(6-bromonaphthalen-2-yl)but-2-ynamide
CID 107987946
1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115701817
2-[[3-bromo-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylpropanoic acid
CID 65489251
2-[(1,3-dioxoisoindol-5-yl)carbamoylamino]-2-methylpropanoic acid
CID 61265736
methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
CID 112617488
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
2-[(3-chloro-4-cyanophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61266932
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid (CID 81266952) is 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid is CC(C)(NC(=O)Nc1ccc2cc(Br)ccc2c1)C(=O)O.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is FYXYRSYEODCELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-15(2,13(19)20)18-14(21)17-12-6-4-9-7-11(16)5-3-10(9)8-12/h3-8H,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid?
2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 351.20 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 81266952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).