N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide

C12H21N3O3 — CID 60806030

IUPACN-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide
SMILESNC(=O)CN(C(=O)C1CCOCC1)C1CCNC1
InChIInChI=1S/C12H21N3O3/c13-11(16)8-15(10-1-4-14-7-10)12(17)9-2-5-18-6-3-9/h9-10,14H,1-8H2,(H2,13,16)
InChIKeyTXFPOOVHLPZTQR-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.91
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide

N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide (PubChem CID 60806030) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide
PubChem CID60806030
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide
SMILESNC(=O)CN(C(=O)C1CCOCC1)C1CCNC1
InChIInChI=1S/C12H21N3O3/c13-11(16)8-15(10-1-4-14-7-10)12(17)9-2-5-18-6-3-9/h9-10,14H,1-8H2,(H2,13,16)
InChIKeyTXFPOOVHLPZTQR-UHFFFAOYSA-N
XLogP-0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide 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

N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195
N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcyclopentanecarboxamide
CID 60801225
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylcyclopentanecarboxamide
CID 54923795
N-propyl-N-pyrrolidin-3-yloxolane-3-carboxamide;hydrochloride
CID 119260577
N-(2-amino-2-oxoethyl)-2-(oxolan-2-yl)-N-pyrrolidin-3-ylacetamide
CID 65157348
N-cyclopropyl-N-(piperidin-4-ylmethyl)oxane-4-carboxamide
CID 79720437
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-ylpiperidine-3-carboxamide
CID 83193597
2-[acetyl(piperidin-3-yl)amino]acetamide
CID 60802262
N-pyrrolidin-3-yl-N-(3-pyrrolidin-1-ylpropyl)cyclopropanecarboxamide
CID 172908880
N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 60806860
methyl N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcarbamate
CID 60801559
(2R)-N-(2-amino-2-oxoethyl)-5-oxo-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93327573

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide (CID 60806030) is N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide is NC(=O)CN(C(=O)C1CCOCC1)C1CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide?
The InChIKey is TXFPOOVHLPZTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-11(16)8-15(10-1-4-14-7-10)12(17)9-2-5-18-6-3-9/h9-10,14H,1-8H2,(H2,13,16).
What are the key properties of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-4-carboxamide is sourced from PubChem (CID 60806030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).