N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide

C9H15N3O4 — CID 112550436

IUPACN-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NOCC(N)=O)CC1=O
InChIInChI=1S/C9H15N3O4/c1-2-12-4-6(3-8(12)14)9(15)11-16-5-7(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,11,15)
InChIKeyCDDSYPKVERSIRA-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.61
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 112550436) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID112550436
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NOCC(N)=O)CC1=O
InChIInChI=1S/C9H15N3O4/c1-2-12-4-6(3-8(12)14)9(15)11-16-5-7(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,11,15)
InChIKeyCDDSYPKVERSIRA-UHFFFAOYSA-N
XLogP-1.61
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
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)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 112550436) is N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NOCC(N)=O)CC1=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CDDSYPKVERSIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-2-12-4-6(3-8(12)14)9(15)11-16-5-7(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,11,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of -1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112550436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).