2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid

C15H20FNO3 — CID 64854287

IUPAC2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid
SMILESCc1ccc(F)c(OCCC(C)(NC2CC2)C(=O)O)c1
InChIInChI=1S/C15H20FNO3/c1-10-3-6-12(16)13(9-10)20-8-7-15(2,14(18)19)17-11-4-5-11/h3,6,9,11,17H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeyMQAFSPMTMCUHAK-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.50
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid

2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid (PubChem CID 64854287) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid
PubChem CID64854287
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid
SMILESCc1ccc(F)c(OCCC(C)(NC2CC2)C(=O)O)c1
InChIInChI=1S/C15H20FNO3/c1-10-3-6-12(16)13(9-10)20-8-7-15(2,14(18)19)17-11-4-5-11/h3,6,9,11,17H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeyMQAFSPMTMCUHAK-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid
CID 64854484
2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylbutanoic acid
CID 62785439
2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid
CID 64854490
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
CID 64855633
methyl 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)-2-methylbutanoate
CID 102983783
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)-2-methylpentanoic acid
CID 64720679
2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid
CID 82006585
1-fluoro-4-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 115518687
2-amino-5-(2-fluoro-5-methylphenoxy)-2-methylpentan-1-ol
CID 64855935

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid (CID 64854287) is 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid is Cc1ccc(F)c(OCCC(C)(NC2CC2)C(=O)O)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid?
The InChIKey is MQAFSPMTMCUHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10-3-6-12(16)13(9-10)20-8-7-15(2,14(18)19)17-11-4-5-11/h3,6,9,11,17H,4-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid?
2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.50, 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-5-methylphenoxy)-2-methylbutanoic acid is sourced from PubChem (CID 64854287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).