2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid

C13H17FN2O3 — CID 62639237

IUPAC2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid
SMILESCCN(C(=O)N(C)C(C)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-4-16(11-7-5-10(14)6-8-11)13(19)15(3)9(2)12(17)18/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyRYNXFJCIHMWPIU-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.18
Rot. Bonds4

About 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid

2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid (PubChem CID 62639237) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid
PubChem CID62639237
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid
SMILESCCN(C(=O)N(C)C(C)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3/c1-4-16(11-7-5-10(14)6-8-11)13(19)15(3)9(2)12(17)18/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyRYNXFJCIHMWPIU-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-N-(4-fluorophenyl)anilino)propanoic acid
CID 139511058
(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
CID 119271831
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
2-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353735
2-[[[ethyl-(4-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222194
2-(N-ethyl-4-fluoroanilino)pentan-3-one
CID 64866058
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
2-[[ethyl-(4-fluorophenyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283284
3-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138051

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid (CID 62639237) is 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid is CCN(C(=O)N(C)C(C)C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid?
The InChIKey is RYNXFJCIHMWPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-4-16(11-7-5-10(14)6-8-11)13(19)15(3)9(2)12(17)18/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid?
2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid has a molecular weight of 268.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 62639237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).