2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid

C12H24N2O2 — CID 83221596

IUPAC2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
SMILESCCC1CCC(C)N1CCC(C)(N)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-4-10-6-5-9(2)14(10)8-7-12(3,13)11(15)16/h9-10H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyNUZISICQYPSFDR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid

2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid (PubChem CID 83221596) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
PubChem CID83221596
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
SMILESCCC1CCC(C)N1CCC(C)(N)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-4-10-6-5-9(2)14(10)8-7-12(3,13)11(15)16/h9-10H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyNUZISICQYPSFDR-UHFFFAOYSA-N
XLogP1.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
CID 83135393
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 83221191
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
CID 83221112
ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
CID 83221351
methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 83221825
2-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropanamide
CID 83220952
1-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 83224284
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 83221625
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 83222041
3-(2-ethyl-5-methylpyrrolidin-1-yl)propanal
CID 83219777
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 83219079

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid?
The IUPAC name of 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid (CID 83221596) is 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid is CCC1CCC(C)N1CCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid?
The InChIKey is NUZISICQYPSFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10-6-5-9(2)14(10)8-7-12(3,13)11(15)16/h9-10H,4-8,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid?
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 83221596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).