3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid

C12H14FNO5 — CID 66167434

IUPAC3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
SMILESO=C(CCOc1cccc(F)c1)NCC(O)C(=O)O
InChIInChI=1S/C12H14FNO5/c13-8-2-1-3-9(6-8)19-5-4-11(16)14-7-10(15)12(17)18/h1-3,6,10,15H,4-5,7H2,(H,14,16)(H,17,18)
InChIKeyMLIIGCZMFRQPIU-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.16
Rot. Bonds7

About 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid

3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid (PubChem CID 66167434) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
PubChem CID66167434
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
SMILESO=C(CCOc1cccc(F)c1)NCC(O)C(=O)O
InChIInChI=1S/C12H14FNO5/c13-8-2-1-3-9(6-8)19-5-4-11(16)14-7-10(15)12(17)18/h1-3,6,10,15H,4-5,7H2,(H,14,16)(H,17,18)
InChIKeyMLIIGCZMFRQPIU-UHFFFAOYSA-N
XLogP0.16
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746113
3-[4-(3-fluorophenoxy)butanoylamino]-2-phenylpropanoic acid
CID 119254459
(2S)-3-[3-(3,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107832849
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
7-(3-fluorophenoxy)-2-hydroxyheptanoic acid
CID 66822207
(2S)-3-[2-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833758
2-[3-(3-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 43467510
2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid
CID 63930757
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
CID 103839738
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
CID 66177946
3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500929

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid (CID 66167434) is 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid is O=C(CCOc1cccc(F)c1)NCC(O)C(=O)O.
What is the InChIKey of 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
The InChIKey is MLIIGCZMFRQPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c13-8-2-1-3-9(6-8)19-5-4-11(16)14-7-10(15)12(17)18/h1-3,6,10,15H,4-5,7H2,(H,14,16)(H,17,18).
What are the key properties of 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid has a molecular weight of 271.24 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).