3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid

C13H17FN2O3 — CID 62828090

IUPAC3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-3-16(8-9(2)12(17)18)13(19)15-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyDCJVVGVGLKARPN-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.40
Rot. Bonds5

About 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62828090) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62828090
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-3-16(8-9(2)12(17)18)13(19)15-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyDCJVVGVGLKARPN-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62851938
3-[ethyl-[(3-fluoro-5-methylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79050237
3-[ethyl-[1-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853029
3-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854086
3-[(4-bromo-3-chlorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107614607
3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107809460
3-[(4-chloro-3-methoxyphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107622510
3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852836
3-[(4-bromo-2-fluorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62851757
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853366
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62828090) is 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is DCJVVGVGLKARPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-16(8-9(2)12(17)18)13(19)15-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 268.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62828090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).