ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate

C17H31NO3 — CID 106487561

IUPACethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate
SMILESCCOC(=O)C(CC)(CN)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H31NO3/c1-3-16(13-18,15(19)20-4-2)12-14-8-11-17(21-14)9-6-5-7-10-17/h14H,3-13,18H2,1-2H3
InChIKeyKFQAQERWGNAZLV-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.18
Rot. Bonds6

About ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate

ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate (PubChem CID 106487561) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate
PubChem CID106487561
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nameethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate
SMILESCCOC(=O)C(CC)(CN)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H31NO3/c1-3-16(13-18,15(19)20-4-2)12-14-8-11-17(21-14)9-6-5-7-10-17/h14H,3-13,18H2,1-2H3
InChIKeyKFQAQERWGNAZLV-UHFFFAOYSA-N
XLogP3.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate
CID 106489501
2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106489673
diethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propanedioate
CID 102899337
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)butan-1-amine
CID 102896081
ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate
CID 106931584
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
ethyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
CID 175401857
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)propane-1,3-diol
CID 107865527
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
CID 102902443
2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
CID 102902077

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate (CID 106487561) is ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate is CCOC(=O)C(CC)(CN)CC1CCC2(CCCCC2)O1.
What is the InChIKey of ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate?
The InChIKey is KFQAQERWGNAZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-16(13-18,15(19)20-4-2)12-14-8-11-17(21-14)9-6-5-7-10-17/h14H,3-13,18H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate?
ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate has a molecular weight of 297.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate is sourced from PubChem (CID 106487561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).