5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid

C14H18FNO2 — CID 114102030

IUPAC5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid
SMILESCCCC1(CNc2ccc(F)cc2C(=O)O)CC1
InChIInChI=1S/C14H18FNO2/c1-2-5-14(6-7-14)9-16-12-4-3-10(15)8-11(12)13(17)18/h3-4,8,16H,2,5-7,9H2,1H3,(H,17,18)
InChIKeyBUXSDFKFDGGRLE-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.52
Rot. Bonds6

About 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid

5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid (PubChem CID 114102030) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid
PubChem CID114102030
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid
SMILESCCCC1(CNc2ccc(F)cc2C(=O)O)CC1
InChIInChI=1S/C14H18FNO2/c1-2-5-14(6-7-14)9-16-12-4-3-10(15)8-11(12)13(17)18/h3-4,8,16H,2,5-7,9H2,1H3,(H,17,18)
InChIKeyBUXSDFKFDGGRLE-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
CID 63675024
5-fluoro-2-(prop-2-ynylamino)benzoic acid
CID 63674509
5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 63673662
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-sulfamoylbenzoic acid
CID 114756979
5-fluoro-2-(3-methylbut-2-enylamino)benzoic acid
CID 106197911
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methylbenzoic acid
CID 115360531
5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 63831445
5-fluoro-2-(prop-2-enylamino)benzoic acid
CID 63674508
2-amino-5-[(1-ethylcyclopropyl)methylamino]-4-fluorobenzoic acid
CID 114101743
5-fluoro-2-(4-methylpentylamino)benzoic acid
CID 63672827
5-fluoro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104765923
5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
CID 61199857

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid (CID 114102030) is 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid is CCCC1(CNc2ccc(F)cc2C(=O)O)CC1.
What is the InChIKey of 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid?
The InChIKey is BUXSDFKFDGGRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-5-14(6-7-14)9-16-12-4-3-10(15)8-11(12)13(17)18/h3-4,8,16H,2,5-7,9H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid?
5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid has a molecular weight of 251.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-propylcyclopropyl)methylamino]benzoic acid is sourced from PubChem (CID 114102030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).