3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid

C10H20N2O5 — CID 82327156

IUPAC3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
SMILESCOCCNC(=O)CN(CCO)CCC(=O)O
InChIInChI=1S/C10H20N2O5/c1-17-7-3-11-9(14)8-12(5-6-13)4-2-10(15)16/h13H,2-8H2,1H3,(H,11,14)(H,15,16)
InChIKeyZRIGKNFXIRSZEF-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.48
Rot. Bonds10

About 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid

3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 82327156) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID82327156
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
SMILESCOCCNC(=O)CN(CCO)CCC(=O)O
InChIInChI=1S/C10H20N2O5/c1-17-7-3-11-9(14)8-12(5-6-13)4-2-10(15)16/h13H,2-8H2,1H3,(H,11,14)(H,15,16)
InChIKeyZRIGKNFXIRSZEF-UHFFFAOYSA-N
XLogP-1.48
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 60686668
2-[2-[carboxymethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-(5-methoxy-2-oxopentyl)amino]ethyl]amino]acetic acid
CID 162305433
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide
CID 115666547
3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
CID 82327164
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 31994044
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
4-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]butanoic acid
CID 107485886
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid (CID 82327156) is 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid is COCCNC(=O)CN(CCO)CCC(=O)O.
What is the InChIKey of 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is ZRIGKNFXIRSZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-17-7-3-11-9(14)8-12(5-6-13)4-2-10(15)16/h13H,2-8H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid?
3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of -1.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 82327156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).