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

C10H17NO4 — CID 82323958

IUPAC3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
SMILESCOCCN(CCC(=O)O)C(=O)C1CC1
InChIInChI=1S/C10H17NO4/c1-15-7-6-11(5-4-9(12)13)10(14)8-2-3-8/h8H,2-7H2,1H3,(H,12,13)
InChIKeyHVLYEMWPCUPPDB-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds7

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

3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid (PubChem CID 82323958) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
PubChem CID82323958
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
SMILESCOCCN(CCC(=O)O)C(=O)C1CC1
InChIInChI=1S/C10H17NO4/c1-15-7-6-11(5-4-9(12)13)10(14)8-2-3-8/h8H,2-7H2,1H3,(H,12,13)
InChIKeyHVLYEMWPCUPPDB-UHFFFAOYSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-[cyclopropanecarbonyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 140050203
2-[[Acetyl(2-methoxyethyl)amino]methyl]butanoic acid;ethene
CID 143002745
2-Methyl-3-[methyl-(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 55007113
Ethyl 2-[cyclopropanecarbonyl(2-methoxyethyl)amino]acetate
CID 60770443
2-[2-Methoxyethyl(2-methylbutanoyl)amino]acetic acid
CID 61534727
2-[Cyclopropanecarbonyl(2-methoxyethyl)amino]acetic acid
CID 61534827
2-[2-Methoxyethyl(3-methylbutanoyl)amino]acetic acid
CID 61534903
3-[(2-Ethoxyacetyl)-methylamino]-2-methylpropanoic acid
CID 61599993
3-[(2-Methoxyacetyl)-methylamino]-2-methylpropanoic acid
CID 61600271
Ethyl 3-[cyclopropanecarbonyl(methyl)amino]propanoate
CID 61795636
1-[Ethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095087
1-[2-Methoxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095250

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid (CID 82323958) is 3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid is COCCN(CCC(=O)O)C(=O)C1CC1.
What is the InChIKey of 3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid?
The InChIKey is HVLYEMWPCUPPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-7-6-11(5-4-9(12)13)10(14)8-2-3-8/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid?
3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid is sourced from PubChem (CID 82323958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).