(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid

C11H12FNO4 — CID 92918438

IUPAC(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)COc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H12FNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyFQLAVPXNLBDXMN-ZETCQYMHSA-N
MW241.22 g/mol
LogP0.79
Rot. Bonds5

About (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid

(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid (PubChem CID 92918438) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
PubChem CID92918438
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)COc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H12FNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyFQLAVPXNLBDXMN-ZETCQYMHSA-N
XLogP0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040
N-(1,3-dihydroxypropan-2-yl)-2-(4-fluorophenoxy)acetamide
CID 65315333
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62480729
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-(4-fluorophenoxy)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94822842
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid (CID 92918438) is (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid is C[C@H](NC(=O)COc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid?
The InChIKey is FQLAVPXNLBDXMN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid?
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid has a molecular weight of 241.22 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 92918438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).