2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid

C14H28N2O2 — CID 106806356

IUPAC2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid
SMILESCCC(N)(CCCN1CCCC1C(C)C)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-4-14(15,13(17)18)8-6-10-16-9-5-7-12(16)11(2)3/h11-12H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyBPXFGEBSQLRICK-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.08
Rot. Bonds7

About 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid

2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid (PubChem CID 106806356) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid
PubChem CID106806356
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid
SMILESCCC(N)(CCCN1CCCC1C(C)C)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-4-14(15,13(17)18)8-6-10-16-9-5-7-12(16)11(2)3/h11-12H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyBPXFGEBSQLRICK-UHFFFAOYSA-N
XLogP2.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid (CID 106806356) is 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid is CCC(N)(CCCN1CCCC1C(C)C)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is BPXFGEBSQLRICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-14(15,13(17)18)8-6-10-16-9-5-7-12(16)11(2)3/h11-12H,4-10,15H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 256.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 106806356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).