N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide

C10H21N3O3 — CID 103531231

IUPACN-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
SMILESCOC1CN(CC(=O)NCCN)CC1OC
InChIInChI=1S/C10H21N3O3/c1-15-8-5-13(6-9(8)16-2)7-10(14)12-4-3-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyKJJRSJMVLOMWLN-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.59
Rot. Bonds6

About N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide

N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide (PubChem CID 103531231) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
PubChem CID103531231
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
SMILESCOC1CN(CC(=O)NCCN)CC1OC
InChIInChI=1S/C10H21N3O3/c1-15-8-5-13(6-9(8)16-2)7-10(14)12-4-3-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyKJJRSJMVLOMWLN-UHFFFAOYSA-N
XLogP-1.59
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-2-pyrrolidin-1-ylacetamide
CID 47010383
N-(2-methoxyethyl)-2-pyrrolidin-1-ylacetamide
CID 47006247
2-[[2-[3-(Trifluoromethoxy)pyrrolidin-1-yl]acetyl]amino]propanamide
CID 176272224
1-(3-Methoxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 103532922
N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113368805
1-(3,4-Dimethoxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 113827101
2-(2,3-dimethoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 114099817
N-ethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]acetamide
CID 71859659
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]formamide
CID 22031907
[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-[(2-aminoacetyl)-methylamino]acetate
CID 57558145
2-Acetamidoethyl-(2,3-dimethoxypropyl)-dimethylazanium
CID 57988432
2-amino-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]acetamide
CID 58701495

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide (CID 103531231) is N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide is COC1CN(CC(=O)NCCN)CC1OC.
What is the InChIKey of N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
The InChIKey is KJJRSJMVLOMWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-15-8-5-13(6-9(8)16-2)7-10(14)12-4-3-11/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide has a molecular weight of 231.30 g/mol, XLogP of -1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103531231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).