2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid

C12H16FNO3 — CID 114991216

IUPAC2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid
SMILESCC(O)CNC(C)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-8(15)7-14-12(2,11(16)17)9-4-3-5-10(13)6-9/h3-6,8,14-15H,7H2,1-2H3,(H,16,17)
InChIKeyCFRUEPGJOKPCHY-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.10
Rot. Bonds5

About 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid

2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid (PubChem CID 114991216) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid
PubChem CID114991216
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid
SMILESCC(O)CNC(C)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-8(15)7-14-12(2,11(16)17)9-4-3-5-10(13)6-9/h3-6,8,14-15H,7H2,1-2H3,(H,16,17)
InChIKeyCFRUEPGJOKPCHY-UHFFFAOYSA-N
XLogP1.10
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(3-fluorophenyl)-2-formamidopropanoic acid
CID 63687632
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
2-(3-fluorophenyl)-2-(2-methylpropylamino)butanoic acid
CID 114871982
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892842
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid?
The IUPAC name of 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid (CID 114991216) is 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid?
The canonical SMILES for 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid is CC(O)CNC(C)(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid?
The InChIKey is CFRUEPGJOKPCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(15)7-14-12(2,11(16)17)9-4-3-5-10(13)6-9/h3-6,8,14-15H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid?
2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid has a molecular weight of 241.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid is sourced from PubChem (CID 114991216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).