3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid

C10H18N2O5 — CID 114032004

IUPAC3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
SMILESCOCCOCC(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H18N2O5/c1-16-4-5-17-6-8(13)12-3-2-10(11,7-12)9(14)15/h2-7,11H2,1H3,(H,14,15)
InChIKeyJVCQPLVCQHURKT-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.34
Rot. Bonds6

About 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 114032004) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID114032004
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
SMILESCOCCOCC(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H18N2O5/c1-16-4-5-17-6-8(13)12-3-2-10(11,7-12)9(14)15/h2-7,11H2,1H3,(H,14,15)
InChIKeyJVCQPLVCQHURKT-UHFFFAOYSA-N
XLogP-1.34
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid (CID 114032004) is 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid is COCCOCC(=O)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JVCQPLVCQHURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-16-4-5-17-6-8(13)12-3-2-10(11,7-12)9(14)15/h2-7,11H2,1H3,(H,14,15).
What are the key properties of 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of -1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114032004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).