4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid

C13H14FNO3 — CID 103871804

IUPAC4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
SMILESO=C(CC1CCC1)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C13H14FNO3/c14-10-7-9(13(17)18)4-5-11(10)15-12(16)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H,15,16)(H,17,18)
InChIKeyQVRXMBDRKXOSKT-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.65
Rot. Bonds4

About 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid

4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid (PubChem CID 103871804) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
PubChem CID103871804
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
SMILESO=C(CC1CCC1)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C13H14FNO3/c14-10-7-9(13(17)18)4-5-11(10)15-12(16)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H,15,16)(H,17,18)
InChIKeyQVRXMBDRKXOSKT-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63188094
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3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
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N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187706
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 107400146
3-[4-[(2-cyclopentylacetyl)amino]-3-fluorophenyl]prop-2-enoic acid
CID 76907595
4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 11314022
4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid
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4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
CID 63190262

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid (CID 103871804) is 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid is O=C(CC1CCC1)Nc1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid?
The InChIKey is QVRXMBDRKXOSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-10-7-9(13(17)18)4-5-11(10)15-12(16)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid?
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid has a molecular weight of 251.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 103871804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).