2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid

C15H19FN2O3 — CID 79270841

IUPAC2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-4-9-18(10-14(19)20)15(21)17(3)11(2)12-7-5-6-8-13(12)16/h4-8,11H,1,9-10H2,2-3H3,(H,19,20)
InChIKeyHJQZUSSCQCYALX-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.51
Rot. Bonds6

About 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid

2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid (PubChem CID 79270841) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
PubChem CID79270841
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-4-9-18(10-14(19)20)15(21)17(3)11(2)12-7-5-6-8-13(12)16/h4-8,11H,1,9-10H2,2-3H3,(H,19,20)
InChIKeyHJQZUSSCQCYALX-UHFFFAOYSA-N
XLogP2.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
4-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62986010
2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62984247
2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79276361
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
CID 112725705
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
2-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62984778
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
CID 86925373
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
2-[[(2-chlorophenyl)methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79276787
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid (CID 79270841) is 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid?
The InChIKey is HJQZUSSCQCYALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-4-9-18(10-14(19)20)15(21)17(3)11(2)12-7-5-6-8-13(12)16/h4-8,11H,1,9-10H2,2-3H3,(H,19,20).
What are the key properties of 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid?
2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79270841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).