2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid

C13H17NO5 — CID 43171869

IUPAC2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
SMILESCOCCOCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO5/c1-18-7-8-19-9-11(15)14-12(13(16)17)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeySUAOBHYLBKURJB-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.59
Rot. Bonds8

About 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid

2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid (PubChem CID 43171869) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
PubChem CID43171869
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
SMILESCOCCOCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO5/c1-18-7-8-19-9-11(15)14-12(13(16)17)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeySUAOBHYLBKURJB-UHFFFAOYSA-N
XLogP0.59
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 43358425
2-(2-methoxyethoxy)-N-(1-phenylpropyl)acetamide
CID 103612351
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-(4-bromophenyl)-2-[(2-butoxyacetyl)amino]acetic acid
CID 119197860
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid
CID 103871010
(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 119372492
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(2-methoxyethoxy)acetamide
CID 60548393
2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid
CID 103018116
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid (CID 43171869) is 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid is COCCOCC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid?
The InChIKey is SUAOBHYLBKURJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-18-7-8-19-9-11(15)14-12(13(16)17)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid?
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 43171869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).