2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid

C14H19FN2O2 — CID 55145096

IUPAC2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid
SMILESCN(CCC(NC1CC1)C(=O)O)c1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-17(13-5-3-2-4-11(13)15)9-8-12(14(18)19)16-10-6-7-10/h2-5,10,12,16H,6-9H2,1H3,(H,18,19)
InChIKeyVPRLBLIACCCIAK-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.86
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid

2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid (PubChem CID 55145096) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid
PubChem CID55145096
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid
SMILESCN(CCC(NC1CC1)C(=O)O)c1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-17(13-5-3-2-4-11(13)15)9-8-12(14(18)19)16-10-6-7-10/h2-5,10,12,16H,6-9H2,1H3,(H,18,19)
InChIKeyVPRLBLIACCCIAK-UHFFFAOYSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopropylamino)-4-(N,2-dimethylanilino)butanoate
CID 63053643
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
ethyl 4-(2-fluoro-N-methylanilino)-2-(propylamino)butanoate
CID 63053989
2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
CID 63054343
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
CID 63027237
2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
CID 63028053
2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid
CID 63053617
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid
CID 63053456
N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 55071126

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid (CID 55145096) is 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid is CN(CCC(NC1CC1)C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid?
The InChIKey is VPRLBLIACCCIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(13-5-3-2-4-11(13)15)9-8-12(14(18)19)16-10-6-7-10/h2-5,10,12,16H,6-9H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid?
2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid is sourced from PubChem (CID 55145096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).