5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid

C10H17NO5 — CID 61023561

IUPAC5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1COCCO1
InChIInChI=1S/C10H17NO5/c12-9(2-1-3-10(13)14)11-6-8-7-15-4-5-16-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyHXGXEAAXVOWFSQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds6

About 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid

5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid (PubChem CID 61023561) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
PubChem CID61023561
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1COCCO1
InChIInChI=1S/C10H17NO5/c12-9(2-1-3-10(13)14)11-6-8-7-15-4-5-16-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyHXGXEAAXVOWFSQ-UHFFFAOYSA-N
XLogP-0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Morpholinoethylamino)-5-oxopentanoic acid
CID 4150750
5-[(2-Methoxyethyl)amino]-5-oxopentanoic acid
CID 43529314
5-(2-Ethoxyethylamino)-5-oxopentanoic acid
CID 43591136
5-((2-(2-Hydroxyethoxy)ethyl)amino)-5-oxopentanoic acid
CID 60662483
5-[2-(2-Methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 61819940
5-(2,3-Dihydroxypropylamino)-5-oxopentanoic acid
CID 66178025
5-[2-(2-Ethoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 88903129
5-[2-[2-[2-(Methylamino)-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 89136774
5-[2-[2-(2-Aminoethoxy)ethoxy]ethylamino]-5-oxopentanoic acid
CID 89169086
5-[2-[2-[2-(2-Methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 90278419
5-[2-[2-(Dimethylamino)ethoxy]ethylamino]-5-oxopentanoic acid
CID 105907768
5-[2-(3-Carboxypropanoyloxy)ethylamino]-5-oxopentanoic acid
CID 117694258

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid (CID 61023561) is 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NCC1COCCO1.
What is the InChIKey of 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid?
The InChIKey is HXGXEAAXVOWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-9(2-1-3-10(13)14)11-6-8-7-15-4-5-16-8/h8H,1-7H2,(H,11,12)(H,13,14).
What are the key properties of 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid?
5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 61023561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).