3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid

C10H15NO5 — CID 81065585

IUPAC3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid
SMILESCCC(CC(=O)O)CN1C(=O)COCC1=O
InChIInChI=1S/C10H15NO5/c1-2-7(3-10(14)15)4-11-8(12)5-16-6-9(11)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyXBJHKGROLHAWQQ-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.13
Rot. Bonds5

About 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid

3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid (PubChem CID 81065585) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid
PubChem CID81065585
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid
SMILESCCC(CC(=O)O)CN1C(=O)COCC1=O
InChIInChI=1S/C10H15NO5/c1-2-7(3-10(14)15)4-11-8(12)5-16-6-9(11)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyXBJHKGROLHAWQQ-UHFFFAOYSA-N
XLogP-0.13
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
Methyl 1-[ethoxy(oxo)acetyl]-4-piperidinecarboxylate
CID 2162118
Ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
CID 2162839
1-[2-(2,2,2-Trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 62032767
1-[2-(2,2-Difluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 82004808
1-[2-(4,4,4-Trifluorobutoxy)acetyl]piperidine-4-carboxylic acid
CID 82788846
1-[2-(3,3,3-Trifluoropropoxy)acetyl]piperidine-4-carboxylic acid
CID 82956537
1-[2-(Trifluoromethoxy)acetyl]piperidine-4-carboxylic acid
CID 107876652
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 113872250
Ethyl 1-(2-methoxyacetyl)piperidine-4-carboxylate
CID 4778006
1-(Methoxyacetyl)piperidine-4-carboxylic acid
CID 16774004
2-[1-(2-Propan-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 20737920

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid?
The IUPAC name of 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid (CID 81065585) is 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid.
What is the SMILES notation for 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid?
The canonical SMILES for 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid is CCC(CC(=O)O)CN1C(=O)COCC1=O.
What is the InChIKey of 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid?
The InChIKey is XBJHKGROLHAWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-2-7(3-10(14)15)4-11-8(12)5-16-6-9(11)13/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid?
3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid has a molecular weight of 229.23 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dioxomorpholin-4-yl)methyl]pentanoic acid is sourced from PubChem (CID 81065585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).