methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate

C17H29NO3 — CID 106489501

IUPACmethyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate
SMILESCOC(=O)C(CN)(CC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C17H29NO3/c1-20-15(19)17(12-18,13-5-6-13)11-14-7-10-16(21-14)8-3-2-4-9-16/h13-14H,2-12,18H2,1H3
InChIKeyRJXOAPLCXCRAAP-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.79
Rot. Bonds5

About methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate

methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate (PubChem CID 106489501) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate
PubChem CID106489501
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Namemethyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate
SMILESCOC(=O)C(CN)(CC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C17H29NO3/c1-20-15(19)17(12-18,13-5-6-13)11-14-7-10-16(21-14)8-3-2-4-9-16/h13-14H,2-12,18H2,1H3
InChIKeyRJXOAPLCXCRAAP-UHFFFAOYSA-N
XLogP2.79
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106489673
ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate
CID 106487561
methyl 2-(aminomethyl)-2-cyclopropyl-3-(3,3-difluorocyclopentyl)propanoate
CID 114226089
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
CID 103491800
2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)butan-1-amine
CID 102896081
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
CID 102902443
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
methyl 2-(aminomethyl)-4-butoxy-2-cyclopropylbutanoate
CID 106489481
2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
CID 102902077
2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide
CID 102897726
tert-butyl N-[2-(hydroxymethyl)-2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)propyl]carbamate
CID 106508716

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate (CID 106489501) is methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate is COC(=O)C(CN)(CC1CCC2(CCCCC2)O1)C1CC1.
What is the InChIKey of methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate?
The InChIKey is RJXOAPLCXCRAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-20-15(19)17(12-18,13-5-6-13)11-14-7-10-16(21-14)8-3-2-4-9-16/h13-14H,2-12,18H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate?
methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate has a molecular weight of 295.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-cyclopropyl-3-(1-oxaspiro[4.5]decan-2-yl)propanoate is sourced from PubChem (CID 106489501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).