2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid

C18H32N4O6 — CID 67802851

IUPAC2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCNC(=O)N1CCC(OCC2CCNCC2)CC1)C(=O)CO
InChIInChI=1S/C18H32N4O6/c23-12-16(24)22(11-17(25)26)10-7-20-18(27)21-8-3-15(4-9-21)28-13-14-1-5-19-6-2-14/h14-15,19,23H,1-13H2,(H,20,27)(H,25,26)
InChIKeyPLLGOZXSCZFQHS-UHFFFAOYSA-N
MW400.48 g/mol
LogP-0.92
Rot. Bonds9

About 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid

2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid (PubChem CID 67802851) has the molecular formula C18H32N4O6 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid
PubChem CID67802851
Molecular FormulaC18H32N4O6
Molecular Weight400.48 g/mol
Exact Mass400.23
IUPAC Name2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCNC(=O)N1CCC(OCC2CCNCC2)CC1)C(=O)CO
InChIInChI=1S/C18H32N4O6/c23-12-16(24)22(11-17(25)26)10-7-20-18(27)21-8-3-15(4-9-21)28-13-14-1-5-19-6-2-14/h14-15,19,23H,1-13H2,(H,20,27)(H,25,26)
InChIKeyPLLGOZXSCZFQHS-UHFFFAOYSA-N
XLogP-0.92
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid (CID 67802851) is 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid is O=C(O)CN(CCNC(=O)N1CCC(OCC2CCNCC2)CC1)C(=O)CO.
What is the InChIKey of 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid?
The InChIKey is PLLGOZXSCZFQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O6/c23-12-16(24)22(11-17(25)26)10-7-20-18(27)21-8-3-15(4-9-21)28-13-14-1-5-19-6-2-14/h14-15,19,23H,1-13H2,(H,20,27)(H,25,26).
What are the key properties of 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid?
2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid has a molecular weight of 400.48 g/mol, XLogP of -0.92, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 67802851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).