(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid

C12H14FNO4 — CID 54990985

IUPAC(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCOc1ccccc1F)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-8(12(16)17)14-11(15)6-7-18-10-5-3-2-4-9(10)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyGOVJKSZBILXNNH-MRVPVSSYSA-N
MW255.24 g/mol
LogP1.18
Rot. Bonds6

About (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid

(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid (PubChem CID 54990985) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
PubChem CID54990985
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCOc1ccccc1F)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-8(12(16)17)14-11(15)6-7-18-10-5-3-2-4-9(10)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyGOVJKSZBILXNNH-MRVPVSSYSA-N
XLogP1.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
(2S)-2-[3-(2-fluorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822360
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926654
4-[3-(2-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 80538101
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
CID 119238607
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 82009038
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide
CID 107845510
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid (CID 54990985) is (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid is C[C@@H](NC(=O)CCOc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid?
The InChIKey is GOVJKSZBILXNNH-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-8(12(16)17)14-11(15)6-7-18-10-5-3-2-4-9(10)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid?
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid is sourced from PubChem (CID 54990985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).