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

C12H22N2O6 — CID 104764154

IUPAC2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C12H22N2O6/c1-18-6-4-14(7-10(15)16)11(17)13-8-12(19-2)3-5-20-9-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyGVMHVFQRBHGTED-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.47
Rot. Bonds8

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

2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 104764154) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
PubChem CID104764154
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C12H22N2O6/c1-18-6-4-14(7-10(15)16)11(17)13-8-12(19-2)3-5-20-9-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyGVMHVFQRBHGTED-UHFFFAOYSA-N
XLogP-0.47
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid (CID 104764154) is 2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)NCC1(OC)CCOC1.
What is the InChIKey of 2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is GVMHVFQRBHGTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6/c1-18-6-4-14(7-10(15)16)11(17)13-8-12(19-2)3-5-20-9-12/h3-9H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of -0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 104764154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).