N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide

C9H19N3O2 — CID 103531181

IUPACN-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
SMILESCOC1CCN(CC(=O)NCCN)C1
InChIInChI=1S/C9H19N3O2/c1-14-8-2-5-12(6-8)7-9(13)11-4-3-10/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyBNKVHSRLYUNXOB-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.22
Rot. Bonds5

About N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide

N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide (PubChem CID 103531181) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
PubChem CID103531181
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
SMILESCOC1CCN(CC(=O)NCCN)C1
InChIInChI=1S/C9H19N3O2/c1-14-8-2-5-12(6-8)7-9(13)11-4-3-10/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyBNKVHSRLYUNXOB-UHFFFAOYSA-N
XLogP-1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-2-pyrrolidin-1-ylacetamide
CID 47010383
2-(2-ethylmorpholin-4-yl)-N-(2-methoxyethyl)acetamide
CID 53525516
2-(2-ethylmorpholin-4-yl)-N-propylacetamide
CID 53525517
N-(2-methoxyethyl)-2-pyrrolidin-1-ylacetamide
CID 47006247
N1-(2-methoxyethyl)-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
CID 45497345
N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide
CID 164640528
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
1-(3,4-Dimethoxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 113827101
N-butyl-N'-(3-propan-2-yloxypropyl)oxamide
CID 2273950
N-butyl-N'-(2-methoxyethyl)oxamide
CID 2291239
N-(2-methoxyethyl)-N'-[3-(propan-2-yloxy)propyl]ethanediamide
CID 2292748

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide (CID 103531181) is N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide is COC1CCN(CC(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide?
The InChIKey is BNKVHSRLYUNXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-14-8-2-5-12(6-8)7-9(13)11-4-3-10/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide?
N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide has a molecular weight of 201.27 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103531181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).