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

C14H19FN2O3 — CID 62812916

IUPAC2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Nc1ccc(F)c(C)c1)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-4-7-14(3,12(18)19)17-13(20)16-10-5-6-11(15)9(2)8-10/h5-6,8H,4,7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyMIWWGRDLYZZZSI-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.90
Rot. Bonds5

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

2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid (PubChem CID 62812916) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid
PubChem CID62812916
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Nc1ccc(F)c(C)c1)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-4-7-14(3,12(18)19)17-13(20)16-10-5-6-11(15)9(2)8-10/h5-6,8H,4,7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyMIWWGRDLYZZZSI-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.90
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-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62813765
2-ethyl-2-[(4-fluoro-3-methylphenyl)carbamoylamino]butanoic acid
CID 79803594
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61182733
2-ethyl-2-[[(4-fluoro-3-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 115431128
2-(3,4-dimethylanilino)-2-methylpentanoic acid
CID 71564825
2-[[4-(cyanomethyl)phenyl]carbamoylamino]-2-methylpentanoic acid
CID 62301210
2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 63792612
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid (CID 62812916) is 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)Nc1ccc(F)c(C)c1)C(=O)O.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid?
The InChIKey is MIWWGRDLYZZZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-4-7-14(3,12(18)19)17-13(20)16-10-5-6-11(15)9(2)8-10/h5-6,8H,4,7H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid?
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.90, 5 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-methylpentanoic acid is sourced from PubChem (CID 62812916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).