2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine

C22H43N3O2 — CID 144959322

IUPAC2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine
SMILESCC1CCC2(C1)CN(CCC(N)C(=O)O)C2.CCC1CCC(C)(CNC)C1
InChIInChI=1S/C12H22N2O2.C10H21N/c1-9-2-4-12(6-9)7-14(8-12)5-3-10(13)11(15)16;1-4-9-5-6-10(2,7-9)8-11-3/h9-10H,2-8,13H2,1H3,(H,15,16);9,11H,4-8H2,1-3H3
InChIKeyNAXSYNZCXXBUGM-UHFFFAOYSA-N
MW381.61 g/mol
LogP3.33
Rot. Bonds7

About 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine

2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine (PubChem CID 144959322) has the molecular formula C22H43N3O2 and a molecular weight of 381.61 g/mol. Its IUPAC name is 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine
PubChem CID144959322
Molecular FormulaC22H43N3O2
Molecular Weight381.61 g/mol
Exact Mass381.34
IUPAC Name2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine
SMILESCC1CCC2(C1)CN(CCC(N)C(=O)O)C2.CCC1CCC(C)(CNC)C1
InChIInChI=1S/C12H22N2O2.C10H21N/c1-9-2-4-12(6-9)7-14(8-12)5-3-10(13)11(15)16;1-4-9-5-6-10(2,7-9)8-11-3/h9-10H,2-8,13H2,1H3,(H,15,16);9,11H,4-8H2,1-3H3
InChIKeyNAXSYNZCXXBUGM-UHFFFAOYSA-N
XLogP3.33
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane
CID 144515825
(2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid
CID 71244346
1-(3-ethyl-1-methylcyclobutyl)-N-methylmethanamine
CID 144959296
4-(3-ethyl-1-methylcyclopentyl)butanamide
CID 91504691
4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid
CID 144515785
2-(2-methoxyethyl)-6-methyl-2-azaspiro[3.4]octane
CID 144866517
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
2-amino-3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]propanoic acid
CID 103253424
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699
2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
CID 64515511
ethane;7-ethyl-2-methylspiro[3.5]nonane
CID 144515680

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine (CID 144959322) is 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine is CC1CCC2(C1)CN(CCC(N)C(=O)O)C2.CCC1CCC(C)(CNC)C1.
What is the InChIKey of 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine?
The InChIKey is NAXSYNZCXXBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C10H21N/c1-9-2-4-12(6-9)7-14(8-12)5-3-10(13)11(15)16;1-4-9-5-6-10(2,7-9)8-11-3/h9-10H,2-8,13H2,1H3,(H,15,16);9,11H,4-8H2,1-3H3.
What are the key properties of 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine?
2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine has a molecular weight of 381.61 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 144959322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).