4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide

C10H17N3O3 — CID 66236093

IUPAC4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C10H17N3O3/c11-8-5-16-4-7(8)10(15)12-3-6-1-2-9(14)13-6/h6-8H,1-5,11H2,(H,12,15)(H,13,14)
InChIKeyPYOAXUAEBDXDMU-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.65
Rot. Bonds3

About 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide

4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 66236093) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide
PubChem CID66236093
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C10H17N3O3/c11-8-5-16-4-7(8)10(15)12-3-6-1-2-9(14)13-6/h6-8H,1-5,11H2,(H,12,15)(H,13,14)
InChIKeyPYOAXUAEBDXDMU-UHFFFAOYSA-N
XLogP-1.65
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide (CID 66236093) is 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide is NC1COCC1C(=O)NCC1CCC(=O)N1.
What is the InChIKey of 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is PYOAXUAEBDXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-8-5-16-4-7(8)10(15)12-3-6-1-2-9(14)13-6/h6-8H,1-5,11H2,(H,12,15)(H,13,14).
What are the key properties of 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide?
4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66236093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).