2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid

C11H20N2O5 — CID 104764146

IUPAC2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C11H20N2O5/c1-3-13(6-9(14)15)10(16)12-7-11(17-2)4-5-18-8-11/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyUJQZBLWEOZFSNS-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.09
Rot. Bonds6

About 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid

2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 104764146) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
PubChem CID104764146
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C11H20N2O5/c1-3-13(6-9(14)15)10(16)12-7-11(17-2)4-5-18-8-11/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyUJQZBLWEOZFSNS-UHFFFAOYSA-N
XLogP-0.09
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid (CID 104764146) is 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)NCC1(OC)CCOC1.
What is the InChIKey of 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is UJQZBLWEOZFSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-13(6-9(14)15)10(16)12-7-11(17-2)4-5-18-8-11/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 104764146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).