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

C11H22N2O2 — CID 128964498

IUPAC2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid
SMILESCCCCN1CCC(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)
InChIKeyWCUIEYLUWGYWAV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.93
Rot. Bonds6

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

2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid (PubChem CID 128964498) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid
PubChem CID128964498
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid
SMILESCCCCN1CCC(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)
InChIKeyWCUIEYLUWGYWAV-UHFFFAOYSA-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

Analyze 2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3R)-1-butyl-3-methylpyrrolidin-3-yl]amino]acetic acid
CID 129322928
2-[[(3S)-3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]amino]acetic acid
CID 129324019
2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid
CID 129324249
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
2-[[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]amino]acetic acid
CID 167871164
2-[[1,3-bis(carboxymethyl)-5-methyl-1,3-diazinan-5-yl]amino]acetic acid
CID 70910321
2-(1-butyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025523
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid
CID 117024642
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
2-[[(3S)-3-methyl-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid
CID 129325168
3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid (CID 128964498) is 2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid is CCCCN1CCC(C)(NCC(=O)O)C1.
What is the InChIKey of 2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid?
The InChIKey is WCUIEYLUWGYWAV-UHFFFAOYSA-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).
What are the key properties of 2-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid?
2-[(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-[(1-butyl-3-methylpyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 128964498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).