1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid

C12H18N2O3 — CID 170612788

IUPAC1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=CN1CC2(C1)CN(CC1(C(=O)O)CCC1)C2
InChIInChI=1S/C12H18N2O3/c15-9-14-6-11(7-14)4-13(5-11)8-12(10(16)17)2-1-3-12/h9H,1-8H2,(H,16,17)
InChIKeyMKXAVPXZTPHQMO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.02
Rot. Bonds4

About 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid

1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 170612788) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID170612788
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=CN1CC2(C1)CN(CC1(C(=O)O)CCC1)C2
InChIInChI=1S/C12H18N2O3/c15-9-14-6-11(7-14)4-13(5-11)8-12(10(16)17)2-1-3-12/h9H,1-8H2,(H,16,17)
InChIKeyMKXAVPXZTPHQMO-UHFFFAOYSA-N
XLogP0.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid
CID 115447033
1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 113310914
1-(2-azaspiro[3.6]decan-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115444857
1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid
CID 115437046
1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
CID 83831372
4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid
CID 113310310
1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310913
1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid
CID 115447036
1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 62271935
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115562002
1-(2-fluoroethyl)cyclobutane-1-carboxylic acid
CID 80693972
2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid
CID 81166807

Frequently Asked Questions

What is the IUPAC name of 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid (CID 170612788) is 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid is O=CN1CC2(C1)CN(CC1(C(=O)O)CCC1)C2.
What is the InChIKey of 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is MKXAVPXZTPHQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-9-14-6-11(7-14)4-13(5-11)8-12(10(16)17)2-1-3-12/h9H,1-8H2,(H,16,17).
What are the key properties of 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid?
1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-formyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 170612788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).