2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid

C12H15FN2O3 — CID 62813765

IUPAC2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCc1cc(NC(=O)NC(C)(C)C(=O)O)ccc1F
InChIInChI=1S/C12H15FN2O3/c1-7-6-8(4-5-9(7)13)14-11(18)15-12(2,3)10(16)17/h4-6H,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyHZGRAWZBLASXKF-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.12
Rot. Bonds3

About 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid

2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 62813765) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID62813765
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCc1cc(NC(=O)NC(C)(C)C(=O)O)ccc1F
InChIInChI=1S/C12H15FN2O3/c1-7-6-8(4-5-9(7)13)14-11(18)15-12(2,3)10(16)17/h4-6H,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyHZGRAWZBLASXKF-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79801294
2-ethyl-2-[(4-fluoro-3-methylphenyl)carbamoylamino]butanoic acid
CID 79803594
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 62812916
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
2-ethyl-2-[[(4-fluoro-3-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 115431128
2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 61265931
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
2-[(3,4-difluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791504
2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 81266952
2-[(1,3-dioxoisoindol-5-yl)carbamoylamino]-2-methylpropanoic acid
CID 61265736
tert-butyl 2-(4-fluoro-3-methylanilino)-2-oxoacetate
CID 115141620

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid (CID 62813765) is 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid is Cc1cc(NC(=O)NC(C)(C)C(=O)O)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is HZGRAWZBLASXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-7-6-8(4-5-9(7)13)14-11(18)15-12(2,3)10(16)17/h4-6H,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 254.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62813765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).