N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide

C10H19N3O3 — CID 106975717

IUPACN-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NOCC(N)=O)CCCN1
InChIInChI=1S/C10H19N3O3/c1-2-4-10(5-3-6-12-10)9(15)13-16-7-8(11)14/h12H,2-7H2,1H3,(H2,11,14)(H,13,15)
InChIKeyWMTGBHZXEXQUDM-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.56
Rot. Bonds6

About N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide

N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975717) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide
PubChem CID106975717
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NOCC(N)=O)CCCN1
InChIInChI=1S/C10H19N3O3/c1-2-4-10(5-3-6-12-10)9(15)13-16-7-8(11)14/h12H,2-7H2,1H3,(H2,11,14)(H,13,15)
InChIKeyWMTGBHZXEXQUDM-UHFFFAOYSA-N
XLogP-0.56
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide (CID 106975717) is N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NOCC(N)=O)CCCN1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is WMTGBHZXEXQUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-4-10(5-3-6-12-10)9(15)13-16-7-8(11)14/h12H,2-7H2,1H3,(H2,11,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide?
N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).