(2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid

C12H22N2O2 — CID 71244346

IUPAC(2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid
SMILESCCC1CC2(C1)CN(CC[C@@H](N)C(=O)O)C2
InChIInChI=1S/C12H22N2O2/c1-2-9-5-12(6-9)7-14(8-12)4-3-10(13)11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyFMBHBFWBCXOVBB-SNVBAGLBSA-N
MW226.32 g/mol
LogP0.91
Rot. Bonds5

About (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid

(2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid (PubChem CID 71244346) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid
PubChem CID71244346
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid
SMILESCCC1CC2(C1)CN(CC[C@@H](N)C(=O)O)C2
InChIInChI=1S/C12H22N2O2/c1-2-9-5-12(6-9)7-14(8-12)4-3-10(13)11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyFMBHBFWBCXOVBB-SNVBAGLBSA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid
CID 144515785
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
2-amino-4-(6-methyl-2-azaspiro[3.4]octan-2-yl)butanoic acid;1-(1,3-dimethylcyclopentyl)-N-methylmethanamine;ethane
CID 144515825
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid?
The IUPAC name of (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid (CID 71244346) is (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid?
The canonical SMILES for (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid is CCC1CC2(C1)CN(CC[C@@H](N)C(=O)O)C2.
What is the InChIKey of (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid?
The InChIKey is FMBHBFWBCXOVBB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-9-5-12(6-9)7-14(8-12)4-3-10(13)11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid?
(2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid has a molecular weight of 226.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(6-ethyl-2-azaspiro[3.3]heptan-2-yl)butanoic acid is sourced from PubChem (CID 71244346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).