4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid

C15H28N2O2 — CID 144515785

IUPAC4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid
SMILESCCC1CC2(CCN(CCC(NC)C(=O)O)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-12-10-15(11-12)5-8-17(9-6-15)7-4-13(16-2)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyVWOYAEMAEFCBMK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds6

About 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid

4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid (PubChem CID 144515785) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid
PubChem CID144515785
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid
SMILESCCC1CC2(CCN(CCC(NC)C(=O)O)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-12-10-15(11-12)5-8-17(9-6-15)7-4-13(16-2)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyVWOYAEMAEFCBMK-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid
CID 63028463
4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid
CID 63055078
(2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid
CID 71244346
4-(1,3-dihydroisoindol-2-yl)-2-(methylamino)butanoic acid
CID 63055046
2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
CID 63055407
2-ethyl-7-(2-methoxyethyl)-7-azaspiro[3.5]nonane
CID 177319164
(2S)-2-(methylamino)-6-(4-methylpiperazin-1-yl)hexanoic acid
CID 167175161
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63159042
4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid
CID 63054307
2-ethyl-7-[(1-methylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 171656955
(2R)-2-(methylamino)pentanoic acid
CID 15677248

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid?
The IUPAC name of 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid (CID 144515785) is 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid is CCC1CC2(CCN(CCC(NC)C(=O)O)CC2)C1.
What is the InChIKey of 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid?
The InChIKey is VWOYAEMAEFCBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-12-10-15(11-12)5-8-17(9-6-15)7-4-13(16-2)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid?
4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid is sourced from PubChem (CID 144515785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).