(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid

C12H15NO5 — CID 746811

IUPAC(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCOc1ccccc1OCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C12H15NO5/c1-8(12(15)16)13-11(14)7-18-10-6-4-3-5-9(10)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyFPENGYPIIVADIX-QMMMGPOBSA-N
MW253.25 g/mol
LogP0.66
Rot. Bonds6

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

(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 746811) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
PubChem CID746811
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCOc1ccccc1OCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C12H15NO5/c1-8(12(15)16)13-11(14)7-18-10-6-4-3-5-9(10)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyFPENGYPIIVADIX-QMMMGPOBSA-N
XLogP0.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739
2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid
CID 82043574
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107822898
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-(2-methoxyphenoxy)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 110347464
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid (CID 746811) is (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid is COc1ccccc1OCC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is FPENGYPIIVADIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8(12(15)16)13-11(14)7-18-10-6-4-3-5-9(10)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid has a molecular weight of 253.25 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 746811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).