ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate

C8H15NO3 — CID 139016609

IUPACethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(O)(CN)C1
InChIInChI=1S/C8H15NO3/c1-2-12-7(10)6-3-8(11,4-6)5-9/h6,11H,2-5,9H2,1H3
InChIKeyVLAIHTFUTITFJT-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.35
Rot. Bonds3

About ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate

ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate (PubChem CID 139016609) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
PubChem CID139016609
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(O)(CN)C1
InChIInChI=1S/C8H15NO3/c1-2-12-7(10)6-3-8(11,4-6)5-9/h6,11H,2-5,9H2,1H3
InChIKeyVLAIHTFUTITFJT-UHFFFAOYSA-N
XLogP-0.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (1S,3S)-1-hydroxybicyclo[3.1.0]hexane-3-carboxylate
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azane;ethyl cyclopropanecarboxylate;hydrochloride
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diethyl cyclopentane-1,3-dicarboxylate
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ethyl 7-oxospiro[3.5]nonane-2-carboxylate
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ethyl 3-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylate
CID 140860812
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 4-(4-aminobutan-2-ylsulfanylmethyl)-4-hydroxycyclohexane-1-carboxylate
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ethyl 4-formyl-4-hydroxycyclohexane-1-carboxylate
CID 118208123

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate (CID 139016609) is ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate is CCOC(=O)C1CC(O)(CN)C1.
What is the InChIKey of ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate?
The InChIKey is VLAIHTFUTITFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-12-7(10)6-3-8(11,4-6)5-9/h6,11H,2-5,9H2,1H3.
What are the key properties of ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate?
ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate is sourced from PubChem (CID 139016609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).