2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid

C11H22N2O2 — CID 129322928

IUPAC2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid
SMILESCCCCN1CC[C@@](C)(NCC(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-6-13-7-5-11(2,9-13)12-8-10(14)15/h12H,3-9H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyWCUIEYLUWGYWAV-LLVKDONJSA-N
MW214.31 g/mol
LogP0.93
Rot. Bonds6

About 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid

2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid (PubChem CID 129322928) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid
PubChem CID129322928
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid
SMILESCCCCN1CC[C@@](C)(NCC(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-6-13-7-5-11(2,9-13)12-8-10(14)15/h12H,3-9H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyWCUIEYLUWGYWAV-LLVKDONJSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid (CID 129322928) is 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid is CCCCN1CC[C@@](C)(NCC(=O)O)C1.
What is the InChIKey of 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid?
The InChIKey is WCUIEYLUWGYWAV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-6-13-7-5-11(2,9-13)12-8-10(14)15/h12H,3-9H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid?
2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 129322928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).