2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid

C13H24N2O5 — CID 79271541

IUPAC2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)CC1CCCCO1
InChIInChI=1S/C13H24N2O5/c1-14(9-11-5-3-4-7-20-11)13(18)15(6-8-19-2)10-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyUGQBYWWZAFISGA-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.64
Rot. Bonds7

About 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid

2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 79271541) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID79271541
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)CC1CCCCO1
InChIInChI=1S/C13H24N2O5/c1-14(9-11-5-3-4-7-20-11)13(18)15(6-8-19-2)10-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyUGQBYWWZAFISGA-UHFFFAOYSA-N
XLogP0.64
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435932
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 79271648
2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119189387
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 114950961
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55096980
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
N-(2-aminoethyl)-N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 113468413
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid (CID 79271541) is 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)N(C)CC1CCCCO1.
What is the InChIKey of 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is UGQBYWWZAFISGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-14(9-11-5-3-4-7-20-11)13(18)15(6-8-19-2)10-12(16)17/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 288.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79271541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).