4-(azetidine-1-carbonyl)oxane-4-carboxylic acid

C10H15NO4 — CID 164660114

IUPAC4-(azetidine-1-carbonyl)oxane-4-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCC2)CCOCC1
InChIInChI=1S/C10H15NO4/c12-8(11-4-1-5-11)10(9(13)14)2-6-15-7-3-10/h1-7H2,(H,13,14)
InChIKeyYVHKRJWSHKMTTJ-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.10
Rot. Bonds2

About 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid

4-(azetidine-1-carbonyl)oxane-4-carboxylic acid (PubChem CID 164660114) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)oxane-4-carboxylic acid
PubChem CID164660114
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-(azetidine-1-carbonyl)oxane-4-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCC2)CCOCC1
InChIInChI=1S/C10H15NO4/c12-8(11-4-1-5-11)10(9(13)14)2-6-15-7-3-10/h1-7H2,(H,13,14)
InChIKeyYVHKRJWSHKMTTJ-UHFFFAOYSA-N
XLogP0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid
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1-(1,4-diazepane-1-carbonyl)cyclobutane-1-carboxylic acid
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1-(1,4-thiazepane-4-carbonyl)cyclopropane-1-carboxylic acid
CID 62095410
1-[(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carboxylic acid
CID 99700305
4-(4,4-dimethylazepane-1-carbonyl)oxane-4-carbothioamide
CID 65281063
(1-hydroxycyclobutyl)-morpholin-4-ylmethanone
CID 130279279
1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
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1-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83548987
[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
CID 85056132
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CID 55050179

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid?
The IUPAC name of 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid (CID 164660114) is 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid is O=C(O)C1(C(=O)N2CCC2)CCOCC1.
What is the InChIKey of 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid?
The InChIKey is YVHKRJWSHKMTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-8(11-4-1-5-11)10(9(13)14)2-6-15-7-3-10/h1-7H2,(H,13,14).
What are the key properties of 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid?
4-(azetidine-1-carbonyl)oxane-4-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)oxane-4-carboxylic acid is sourced from PubChem (CID 164660114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).