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

C9H17N3O3 — CID 103530189

IUPACN-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide
SMILESCOC1CCN(C(=O)C(=O)NCCN)C1
InChIInChI=1S/C9H17N3O3/c1-15-7-2-5-12(6-7)9(14)8(13)11-4-3-10/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyJUSATCMJXWTMSB-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.69
Rot. Bonds3

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

N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide (PubChem CID 103530189) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide
PubChem CID103530189
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide
SMILESCOC1CCN(C(=O)C(=O)NCCN)C1
InChIInChI=1S/C9H17N3O3/c1-15-7-2-5-12(6-7)9(14)8(13)11-4-3-10/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyJUSATCMJXWTMSB-UHFFFAOYSA-N
XLogP-1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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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)-2-oxoacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide (CID 103530189) is N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide is COC1CCN(C(=O)C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide?
The InChIKey is JUSATCMJXWTMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-15-7-2-5-12(6-7)9(14)8(13)11-4-3-10/h7H,2-6,10H2,1H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide?
N-(2-aminoethyl)-2-(3-methoxypyrrolidin-1-yl)-2-oxoacetamide has a molecular weight of 215.25 g/mol, XLogP of -1.69, 3 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)-2-oxoacetamide is sourced from PubChem (CID 103530189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).