1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid

C10H17NO5 — CID 115910100

IUPAC1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid
SMILESCOCCOC(C)C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C10H17NO5/c1-7(16-6-5-15-2)8(12)11-10(3-4-10)9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyLNIINUPEMUWSOG-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid

1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid (PubChem CID 115910100) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid
PubChem CID115910100
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid
SMILESCOCCOC(C)C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C10H17NO5/c1-7(16-6-5-15-2)8(12)11-10(3-4-10)9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyLNIINUPEMUWSOG-UHFFFAOYSA-N
XLogP-0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid (CID 115910100) is 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid is COCCOC(C)C(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid?
The InChIKey is LNIINUPEMUWSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-7(16-6-5-15-2)8(12)11-10(3-4-10)9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid?
1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115910100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).