2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid

C10H21N3O2 — CID 117004168

IUPAC2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
SMILESCN(C)CCN1CCC(NCC(=O)O)C1
InChIInChI=1S/C10H21N3O2/c1-12(2)5-6-13-4-3-9(8-13)11-7-10(14)15/h9,11H,3-8H2,1-2H3,(H,14,15)
InChIKeyVXBKXFBQRJSVHZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.70
Rot. Bonds6

About 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid

2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid (PubChem CID 117004168) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
PubChem CID117004168
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
SMILESCN(C)CCN1CCC(NCC(=O)O)C1
InChIInChI=1S/C10H21N3O2/c1-12(2)5-6-13-4-3-9(8-13)11-7-10(14)15/h9,11H,3-8H2,1-2H3,(H,14,15)
InChIKeyVXBKXFBQRJSVHZ-UHFFFAOYSA-N
XLogP-0.70
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
CID 117004407
2-[(1-ethylpiperidin-4-yl)amino]acetic acid
CID 43135208
2-[(1-acetylpiperidin-4-yl)amino]acetic acid
CID 22034312
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
CID 6484124
2-[(1-cyclohexylpyrrolidin-3-yl)amino]acetic acid
CID 117004164
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895987
2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile
CID 117004768
N,N-dimethyl-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
CID 61462384
2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
CID 43774231
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid
CID 121230383

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid (CID 117004168) is 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid is CN(C)CCN1CCC(NCC(=O)O)C1.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid?
The InChIKey is VXBKXFBQRJSVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12(2)5-6-13-4-3-9(8-13)11-7-10(14)15/h9,11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid?
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid has a molecular weight of 215.30 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 117004168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).