2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid

C13H20N2O4 — CID 79273740

IUPAC2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CCCC(=O)N1CCOCC1)CC(=O)O
InChIInChI=1S/C13H20N2O4/c1-2-5-14(11-13(17)18)6-3-4-12(16)15-7-9-19-10-8-15/h1H,3-11H2,(H,17,18)
InChIKeyIQGQSWISJYYDOT-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.35
Rot. Bonds7

About 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid

2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid (PubChem CID 79273740) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid
PubChem CID79273740
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CCCC(=O)N1CCOCC1)CC(=O)O
InChIInChI=1S/C13H20N2O4/c1-2-5-14(11-13(17)18)6-3-4-12(16)15-7-9-19-10-8-15/h1H,3-11H2,(H,17,18)
InChIKeyIQGQSWISJYYDOT-UHFFFAOYSA-N
XLogP-0.35
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one
CID 62014831
3-[carboxymethyl(prop-2-ynyl)amino]propanoic acid
CID 82330647
2-[3-cyanopropyl(prop-2-ynyl)amino]acetic acid
CID 79283378
2-[octyl(prop-2-ynyl)amino]acetic acid
CID 79283704
2-[2-methoxyethyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
CID 54969051
3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one
CID 71988496
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
CID 170289305
2-[pent-4-enyl(prop-2-ynyl)amino]acetic acid
CID 79274046
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383

Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid (CID 79273740) is 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid is C#CCN(CCCC(=O)N1CCOCC1)CC(=O)O.
What is the InChIKey of 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid?
The InChIKey is IQGQSWISJYYDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-5-14(11-13(17)18)6-3-4-12(16)15-7-9-19-10-8-15/h1H,3-11H2,(H,17,18).
What are the key properties of 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid?
2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid has a molecular weight of 268.31 g/mol, XLogP of -0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79273740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).