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

C25H53N3O2 — CID 144515825

IUPAC2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane
SMILESCC.CC.CC1CCC2(C1)CN(CCC(N)C(=O)O)C2.CNCC1(C)CCC(C)C1
InChIInChI=1S/C12H22N2O2.C9H19N.2C2H6/c1-9-2-4-12(6-9)7-14(8-12)5-3-10(13)11(15)16;1-8-4-5-9(2,6-8)7-10-3;2*1-2/h9-10H,2-8,13H2,1H3,(H,15,16);8,10H,4-7H2,1-3H3;2*1-2H3
InChIKeyCGDQDBGZJBMVET-UHFFFAOYSA-N
MW427.72 g/mol
LogP4.99
Rot. Bonds6

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

2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane (PubChem CID 144515825) has the molecular formula C25H53N3O2 and a molecular weight of 427.72 g/mol. Its IUPAC name is 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane.

Molecular Properties

Compound Name2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane
PubChem CID144515825
Molecular FormulaC25H53N3O2
Molecular Weight427.72 g/mol
Exact Mass427.41
IUPAC Name2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane
SMILESCC.CC.CC1CCC2(C1)CN(CCC(N)C(=O)O)C2.CNCC1(C)CCC(C)C1
InChIInChI=1S/C12H22N2O2.C9H19N.2C2H6/c1-9-2-4-12(6-9)7-14(8-12)5-3-10(13)11(15)16;1-8-4-5-9(2,6-8)7-10-3;2*1-2/h9-10H,2-8,13H2,1H3,(H,15,16);8,10H,4-7H2,1-3H3;2*1-2H3
InChIKeyCGDQDBGZJBMVET-UHFFFAOYSA-N
XLogP4.99
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.72
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane with MolForge

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Related Compounds

2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(3-ethyl-1-methylcyclopentyl)-N-methylmethanamine
CID 144959322
(2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid
CID 71244346
2-(2-methoxyethyl)-6-methyl-2-azaspiro[3.4]octane
CID 144866517
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
2-(dimethylamino)-1-(6-methyl-2-azaspiro[3.4]octan-2-yl)ethanone
CID 90369802
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
ethane;6-methyl-2-azaspiro[3.4]octane-2-carboxamide;N,N,6-trimethyl-2-azaspiro[3.4]octane-2-carboxamide
CID 144515769
2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
CID 64515511
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane?
The IUPAC name of 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane (CID 144515825) is 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane.
What is the SMILES notation for 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane?
The canonical SMILES for 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane is CC.CC.CC1CCC2(C1)CN(CCC(N)C(=O)O)C2.CNCC1(C)CCC(C)C1.
What is the InChIKey of 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane?
The InChIKey is CGDQDBGZJBMVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C9H19N.2C2H6/c1-9-2-4-12(6-9)7-14(8-12)5-3-10(13)11(15)16;1-8-4-5-9(2,6-8)7-10-3;2*1-2/h9-10H,2-8,13H2,1H3,(H,15,16);8,10H,4-7H2,1-3H3;2*1-2H3.
What are the key properties of 2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane?
2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane has a molecular weight of 427.72 g/mol, XLogP of 4.99, 6 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-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane is sourced from PubChem (CID 144515825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).