2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid

C15H16FNO4 — CID 60831048

IUPAC2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1c(C(=O)N(CC(=O)O)C(C)C)oc2ccc(F)cc12
InChIInChI=1S/C15H16FNO4/c1-8(2)17(7-13(18)19)15(20)14-9(3)11-6-10(16)4-5-12(11)21-14/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyWIAGYYTURRIUQN-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.82
Rot. Bonds4

About 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid

2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 60831048) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID60831048
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1c(C(=O)N(CC(=O)O)C(C)C)oc2ccc(F)cc12
InChIInChI=1S/C15H16FNO4/c1-8(2)17(7-13(18)19)15(20)14-9(3)11-6-10(16)4-5-12(11)21-14/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyWIAGYYTURRIUQN-UHFFFAOYSA-N
XLogP2.82
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 115869516
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-fluoro-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 16558736
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 105122775
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 115771204
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 119212059
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid (CID 60831048) is 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid is Cc1c(C(=O)N(CC(=O)O)C(C)C)oc2ccc(F)cc12.
What is the InChIKey of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is WIAGYYTURRIUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-8(2)17(7-13(18)19)15(20)14-9(3)11-6-10(16)4-5-12(11)21-14/h4-6,8H,7H2,1-3H3,(H,18,19).
What are the key properties of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid?
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 293.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60831048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).