2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid

C14H19FN2O4 — CID 62822555

IUPAC2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1ccc(F)cc1OC)C(C)(C)C(=O)O
InChIInChI=1S/C14H19FN2O4/c1-5-17(14(2,3)12(18)19)13(20)16-10-7-6-9(15)8-11(10)21-4/h6-8H,5H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyKTWMGNYYNLKLQM-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.55
Rot. Bonds5

About 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62822555) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62822555
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1ccc(F)cc1OC)C(C)(C)C(=O)O
InChIInChI=1S/C14H19FN2O4/c1-5-17(14(2,3)12(18)19)13(20)16-10-7-6-9(15)8-11(10)21-4/h6-8H,5H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyKTWMGNYYNLKLQM-UHFFFAOYSA-N
XLogP2.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyano-4-fluorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 82683480
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
2-[ethyl-[(2-methoxyphenyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820544
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
2-[(2-bromo-5-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62825454
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 82802624
N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide
CID 86988555
3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790631
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
2-[(4-fluoro-2-methoxyanilino)methyl]prop-2-enoic acid
CID 103245520

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62822555) is 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)Nc1ccc(F)cc1OC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is KTWMGNYYNLKLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-5-17(14(2,3)12(18)19)13(20)16-10-7-6-9(15)8-11(10)21-4/h6-8H,5H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 298.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).