2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid

C13H16FNO4 — CID 65434755

IUPAC2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
SMILESCOc1cccc(F)c1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H16FNO4/c1-8(2)15(7-11(16)17)13(18)12-9(14)5-4-6-10(12)19-3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyHCXIBVSTGCKQKN-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.77
Rot. Bonds5

About 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid

2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid (PubChem CID 65434755) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
PubChem CID65434755
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
SMILESCOc1cccc(F)c1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H16FNO4/c1-8(2)15(7-11(16)17)13(18)12-9(14)5-4-6-10(12)19-3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyHCXIBVSTGCKQKN-UHFFFAOYSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid
CID 65432054
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 60832023
2-[(4-fluoro-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 81283432
3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
CID 65432056
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61181869
3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434948
N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide
CID 115678505
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid (CID 65434755) is 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid is COc1cccc(F)c1C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid?
The InChIKey is HCXIBVSTGCKQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-8(2)15(7-11(16)17)13(18)12-9(14)5-4-6-10(12)19-3/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid?
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid has a molecular weight of 269.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 65434755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).