1-morpholin-4-ylcyclobutane-1-carboxylic acid

C9H15NO3 — CID 62389657

IUPAC1-morpholin-4-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCC1
InChIInChI=1S/C9H15NO3/c11-8(12)9(2-1-3-9)10-4-6-13-7-5-10/h1-7H2,(H,11,12)
InChIKeyDXXVTCOQZWFRLO-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.33
Rot. Bonds2

About 1-morpholin-4-ylcyclobutane-1-carboxylic acid

1-morpholin-4-ylcyclobutane-1-carboxylic acid (PubChem CID 62389657) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-morpholin-4-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-morpholin-4-ylcyclobutane-1-carboxylic acid
PubChem CID62389657
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-morpholin-4-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCC1
InChIInChI=1S/C9H15NO3/c11-8(12)9(2-1-3-9)10-4-6-13-7-5-10/h1-7H2,(H,11,12)
InChIKeyDXXVTCOQZWFRLO-UHFFFAOYSA-N
XLogP0.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Rac-(1s,3s)-3-(morpholin-4-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 154856653
1-(Morpholin-4-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 165951002
3-(Morpholin-4-yl)cyclobutane-1-carboxylic acid
CID 115016858
2-(1-Morpholin-4-ylcyclopropyl)acetic acid
CID 83684257
4-Methyl-2-morpholin-4-yl-pentanoic acid
CID 13765081
(S)-4-Methyl-2-morpholin-4-yl-pentanoic acid
CID 13765082
(2R)-2-methyl-2-morpholin-4-ylbutanoic acid
CID 30030650
2-Morpholin-4-ylpentanoic acid
CID 43803367
(S)-4-methyl-2-morpholinopentanoic acid hydrochloride
CID 66589983
4-Methyl-2-morpholin-4-ylpentanoic acid;hydrochloride
CID 66589984
3-Morpholinobicyclo[1.1.1]pentane-1-carboxylic acid
CID 135185697
Ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate
CID 139408546

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-morpholin-4-ylcyclobutane-1-carboxylic acid (CID 62389657) is 1-morpholin-4-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-morpholin-4-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-morpholin-4-ylcyclobutane-1-carboxylic acid is O=C(O)C1(N2CCOCC2)CCC1.
What is the InChIKey of 1-morpholin-4-ylcyclobutane-1-carboxylic acid?
The InChIKey is DXXVTCOQZWFRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)9(2-1-3-9)10-4-6-13-7-5-10/h1-7H2,(H,11,12).
What are the key properties of 1-morpholin-4-ylcyclobutane-1-carboxylic acid?
1-morpholin-4-ylcyclobutane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 62389657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).