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

C12H14FNO5 — CID 107833559

IUPAC(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
SMILESO=C(CCOc1ccccc1F)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H14FNO5/c13-8-3-1-2-4-10(8)19-6-5-11(16)14-7-9(15)12(17)18/h1-4,9,15H,5-7H2,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyCPCKVRTUDHNVJS-VIFPVBQESA-N
MW271.24 g/mol
LogP0.16
Rot. Bonds7

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

(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid (PubChem CID 107833559) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is (2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
PubChem CID107833559
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
SMILESO=C(CCOc1ccccc1F)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H14FNO5/c13-8-3-1-2-4-10(8)19-6-5-11(16)14-7-9(15)12(17)18/h1-4,9,15H,5-7H2,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyCPCKVRTUDHNVJS-VIFPVBQESA-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-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 82009038
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
4-[3-(2-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 80538101
N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167434
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81370073
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid (CID 107833559) is (2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid is O=C(CCOc1ccccc1F)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
The InChIKey is CPCKVRTUDHNVJS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14FNO5/c13-8-3-1-2-4-10(8)19-6-5-11(16)14-7-9(15)12(17)18/h1-4,9,15H,5-7H2,(H,14,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
(2S)-3-[3-(2-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 (2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107833559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).