2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid

C11H22N2O2 — CID 96554917

IUPAC2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
SMILESCC(C)N(C)C[C@@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)12(3)6-10-4-5-13(7-10)8-11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyYYRIJCHTKCTATL-JTQLQIEISA-N
MW214.31 g/mol
LogP0.73
Rot. Bonds5

About 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid

2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid (PubChem CID 96554917) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
PubChem CID96554917
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
SMILESCC(C)N(C)C[C@@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)12(3)6-10-4-5-13(7-10)8-11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyYYRIJCHTKCTATL-JTQLQIEISA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
CID 96554910
2-[3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 66567812
2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914
3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxopropanoic acid
CID 62229912
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
CID 96554931
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]piperidin-1-yl]acetic acid
CID 66566444
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
CID 60950485
2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
CID 66568090
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60953267
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine
CID 96554802

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid (CID 96554917) is 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid is CC(C)N(C)C[C@@H]1CCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is YYRIJCHTKCTATL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12(3)6-10-4-5-13(7-10)8-11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid?
2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 96554917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).