4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid

C14H17F2NO3 — CID 82349437

IUPAC4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
SMILESO=C(O)CCC(NC1CC1)C(O)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO3/c15-8-1-4-11(16)10(7-8)14(20)12(5-6-13(18)19)17-9-2-3-9/h1,4,7,9,12,14,17,20H,2-3,5-6H2,(H,18,19)
InChIKeySVQQIDIEGOSXCP-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.98
Rot. Bonds7

About 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid

4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid (PubChem CID 82349437) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
PubChem CID82349437
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
SMILESO=C(O)CCC(NC1CC1)C(O)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO3/c15-8-1-4-11(16)10(7-8)14(20)12(5-6-13(18)19)17-9-2-3-9/h1,4,7,9,12,14,17,20H,2-3,5-6H2,(H,18,19)
InChIKeySVQQIDIEGOSXCP-UHFFFAOYSA-N
XLogP1.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 82316233
5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 43117843
4-(2,5-difluorophenyl)-4-(dimethylamino)butanoic acid
CID 82386520
2-(cyclopropylamino)-2-(2,5-difluorophenyl)acetamide
CID 60796305
4-(2,5-difluorophenyl)-4-hydroxy-3-(2-hydroxyethylamino)butanoic acid
CID 82349399
2-cyclopropyl-1-(2,5-difluorophenyl)propan-1-ol
CID 83148576
4-(2,5-difluorophenyl)-4-hydroxy-3-(2-methoxyethylamino)butanoic acid
CID 82349409
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
1-[4-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]-2,2,2-trifluoroethanone
CID 141123025
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882620
2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 60843573

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid?
The IUPAC name of 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid (CID 82349437) is 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid.
What is the SMILES notation for 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid?
The canonical SMILES for 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid is O=C(O)CCC(NC1CC1)C(O)c1cc(F)ccc1F.
What is the InChIKey of 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid?
The InChIKey is SVQQIDIEGOSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-8-1-4-11(16)10(7-8)14(20)12(5-6-13(18)19)17-9-2-3-9/h1,4,7,9,12,14,17,20H,2-3,5-6H2,(H,18,19).
What are the key properties of 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid?
4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid has a molecular weight of 285.29 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid is sourced from PubChem (CID 82349437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).