4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid

C11H20N2O4 — CID 143111053

IUPAC4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid
SMILESCCOCC(CC(=O)O)NC(=O)C1CCCN1
InChIInChI=1S/C11H20N2O4/c1-2-17-7-8(6-10(14)15)13-11(16)9-4-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyNRQITEZOXFILLO-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.27
Rot. Bonds7

About 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid

4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid (PubChem CID 143111053) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid
PubChem CID143111053
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid
SMILESCCOCC(CC(=O)O)NC(=O)C1CCCN1
InChIInChI=1S/C11H20N2O4/c1-2-17-7-8(6-10(14)15)13-11(16)9-4-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyNRQITEZOXFILLO-UHFFFAOYSA-N
XLogP-0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid?
The IUPAC name of 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid (CID 143111053) is 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid.
What is the SMILES notation for 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid?
The canonical SMILES for 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid is CCOCC(CC(=O)O)NC(=O)C1CCCN1.
What is the InChIKey of 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid?
The InChIKey is NRQITEZOXFILLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-17-7-8(6-10(14)15)13-11(16)9-4-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid?
4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid is sourced from PubChem (CID 143111053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).