2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid

C14H18FNO2 — CID 79511641

IUPAC2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid
SMILESCCC(CC1CC1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H18FNO2/c1-2-10(8-9-6-7-9)16-12-5-3-4-11(15)13(12)14(17)18/h3-5,9-10,16H,2,6-8H2,1H3,(H,17,18)
InChIKeyFKLWYGHKEOGRDC-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.51
Rot. Bonds6

About 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid

2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid (PubChem CID 79511641) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid
PubChem CID79511641
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid
SMILESCCC(CC1CC1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H18FNO2/c1-2-10(8-9-6-7-9)16-12-5-3-4-11(15)13(12)14(17)18/h3-5,9-10,16H,2,6-8H2,1H3,(H,17,18)
InChIKeyFKLWYGHKEOGRDC-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropylpropan-2-ylamino)-6-fluorobenzoic acid
CID 79511640
4-(1-cyclopropylbutan-2-ylamino)-2-fluorobenzoic acid
CID 115485480
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
CID 43442755
2-(butan-2-ylcarbamoylamino)-6-fluorobenzoic acid
CID 61187180
2-fluoro-6-(4-methylhexan-2-ylamino)benzoic acid
CID 79512135
3-amino-2-(1-cyclopropylbutan-2-ylamino)benzoic acid
CID 112579043
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
CID 61208825
2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid
CID 63994767
2-fluoro-6-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzoic acid
CID 114152202
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2-(1-ethoxypropan-2-ylamino)-6-fluorobenzoic acid
CID 79522042
2-fluoro-6-(heptan-2-ylamino)benzoic acid
CID 79522598

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid?
The IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid (CID 79511641) is 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid?
The canonical SMILES for 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid is CCC(CC1CC1)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid?
The InChIKey is FKLWYGHKEOGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-10(8-9-6-7-9)16-12-5-3-4-11(15)13(12)14(17)18/h3-5,9-10,16H,2,6-8H2,1H3,(H,17,18).
What are the key properties of 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid?
2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid has a molecular weight of 251.30 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid is sourced from PubChem (CID 79511641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).