2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid

C13H23NO6 — CID 119189387

IUPAC2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCOCC1CCCO1
InChIInChI=1S/C13H23NO6/c1-18-8-5-14(9-13(16)17)12(15)4-7-19-10-11-3-2-6-20-11/h11H,2-10H2,1H3,(H,16,17)
InChIKeyMTAHNJBDTHYJBY-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.13
Rot. Bonds10

About 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid

2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid (PubChem CID 119189387) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
PubChem CID119189387
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Name2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCOCC1CCCO1
InChIInChI=1S/C13H23NO6/c1-18-8-5-14(9-13(16)17)12(15)4-7-19-10-11-3-2-6-20-11/h11H,2-10H2,1H3,(H,16,17)
InChIKeyMTAHNJBDTHYJBY-UHFFFAOYSA-N
XLogP0.13
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
CID 78875889
2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 79271541
N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 78876101
methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 78959559
N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide
CID 120886456
N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide
CID 43254238
N-methyl-3-(oxolan-2-ylmethoxy)-N-piperidin-4-ylpropanamide
CID 119441358
2-[2-methoxyethyl-(2-pyrrolidin-2-ylacetyl)amino]acetic acid
CID 79271684
2-[2-methoxyethyl(oxan-3-ylcarbamoyl)amino]acetic acid
CID 79270376
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid (CID 119189387) is 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)CCOCC1CCCO1.
What is the InChIKey of 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid?
The InChIKey is MTAHNJBDTHYJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6/c1-18-8-5-14(9-13(16)17)12(15)4-7-19-10-11-3-2-6-20-11/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid?
2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 0.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 119189387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).