2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid

C14H18FNO4 — CID 65432054

IUPAC2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1c(F)cccc1OC
InChIInChI=1S/C14H18FNO4/c1-4-9(2)16(8-12(17)18)14(19)13-10(15)6-5-7-11(13)20-3/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyQBDIGHJLWQUOOH-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.16
Rot. Bonds6

About 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid

2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid (PubChem CID 65432054) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid
PubChem CID65432054
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1c(F)cccc1OC
InChIInChI=1S/C14H18FNO4/c1-4-9(2)16(8-12(17)18)14(19)13-10(15)6-5-7-11(13)20-3/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyQBDIGHJLWQUOOH-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
CID 65432056
2-[butan-2-yl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 119955341
2-[(3-bromo-4-methoxybenzoyl)-butan-2-ylamino]acetic acid
CID 60829055
2-[butan-2-yl-[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetic acid
CID 119954510
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid
CID 114040065
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434948

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid (CID 65432054) is 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1c(F)cccc1OC.
What is the InChIKey of 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid?
The InChIKey is QBDIGHJLWQUOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-4-9(2)16(8-12(17)18)14(19)13-10(15)6-5-7-11(13)20-3/h5-7,9H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid?
2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid has a molecular weight of 283.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 65432054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).