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3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid

C10H17NO4 — CID 120515250

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCOCCC1(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-15-7-5-10(3-4-10)9(14)11-6-2-8(12)13/h2-7H2,1H3,(H,11,14)(H,12,13)
InChIKeyFAEIRCNBIQOTGL-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds7

About 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid

3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 120515250) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID120515250
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCOCCC1(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-15-7-5-10(3-4-10)9(14)11-6-2-8(12)13/h2-7H2,1H3,(H,11,14)(H,12,13)
InChIKeyFAEIRCNBIQOTGL-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid (CID 120515250) is 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid is COCCC1(C(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is FAEIRCNBIQOTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-7-5-10(3-4-10)9(14)11-6-2-8(12)13/h2-7H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid?
3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 120515250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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