2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid

C13H22N2O5 — CID 79283178

IUPAC2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N(CCCOC)CCOC
InChIInChI=1S/C13H22N2O5/c1-4-6-15(11-12(16)17)13(18)14(8-10-20-3)7-5-9-19-2/h1H,5-11H2,2-3H3,(H,16,17)
InChIKeyXGVSHYLFEAXTKY-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.11
Rot. Bonds10

About 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid

2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid (PubChem CID 79283178) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid
PubChem CID79283178
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N(CCCOC)CCOC
InChIInChI=1S/C13H22N2O5/c1-4-6-15(11-12(16)17)13(18)14(8-10-20-3)7-5-9-19-2/h1H,5-11H2,2-3H3,(H,16,17)
InChIKeyXGVSHYLFEAXTKY-UHFFFAOYSA-N
XLogP0.11
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283860
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[(4-methoxy-2,2-dimethylbutyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 114126162
2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid (CID 79283178) is 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)N(CCCOC)CCOC.
What is the InChIKey of 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid?
The InChIKey is XGVSHYLFEAXTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-4-6-15(11-12(16)17)13(18)14(8-10-20-3)7-5-9-19-2/h1H,5-11H2,2-3H3,(H,16,17).
What are the key properties of 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid?
2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79283178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).