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

C12H21N3O3 — CID 62760499

IUPACN-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide
SMILESNC(=O)CN(C(=O)C1CCCOC1)C1CCNC1
InChIInChI=1S/C12H21N3O3/c13-11(16)7-15(10-3-4-14-6-10)12(17)9-2-1-5-18-8-9/h9-10,14H,1-8H2,(H2,13,16)
InChIKeyQILJOCFINXKADO-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.91
Rot. Bonds4

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

N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide (PubChem CID 62760499) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide
PubChem CID62760499
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide
SMILESNC(=O)CN(C(=O)C1CCCOC1)C1CCNC1
InChIInChI=1S/C12H21N3O3/c13-11(16)7-15(10-3-4-14-6-10)12(17)9-2-1-5-18-8-9/h9-10,14H,1-8H2,(H2,13,16)
InChIKeyQILJOCFINXKADO-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide (CID 62760499) is N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide is NC(=O)CN(C(=O)C1CCCOC1)C1CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide?
The InChIKey is QILJOCFINXKADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-11(16)7-15(10-3-4-14-6-10)12(17)9-2-1-5-18-8-9/h9-10,14H,1-8H2,(H2,13,16).
What are the key properties of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yloxane-3-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-3-carboxamide is sourced from PubChem (CID 62760499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).