4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid

C16H29NO3 — CID 119138143

IUPAC4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid
SMILESCCOC1CC(N(C)CCCC(=O)O)C12CCCCC2
InChIInChI=1S/C16H29NO3/c1-3-20-14-12-13(16(14)9-5-4-6-10-16)17(2)11-7-8-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyMIYYQCQTTPYFRG-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.91
Rot. Bonds7

About 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid

4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid (PubChem CID 119138143) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid
PubChem CID119138143
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid
SMILESCCOC1CC(N(C)CCCC(=O)O)C12CCCCC2
InChIInChI=1S/C16H29NO3/c1-3-20-14-12-13(16(14)9-5-4-6-10-16)17(2)11-7-8-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyMIYYQCQTTPYFRG-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
CID 119803589
1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone
CID 102558006
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
CID 119335024
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186359
3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl-methylamino]propanoic acid
CID 122004397
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride
CID 120563393
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
CID 99774644
(2S)-2-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylpropanamide;hydrochloride
CID 119333090
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 102558005
3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride
CID 119932022
N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpiperidine-3-carboxamide
CID 119335023

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid?
The IUPAC name of 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid (CID 119138143) is 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid is CCOC1CC(N(C)CCCC(=O)O)C12CCCCC2.
What is the InChIKey of 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid?
The InChIKey is MIYYQCQTTPYFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-20-14-12-13(16(14)9-5-4-6-10-16)17(2)11-7-8-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid?
4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid has a molecular weight of 283.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid is sourced from PubChem (CID 119138143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).