N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide

C11H17N3O2 — CID 155037522

IUPACN-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)14-5-4-8(7-14)10(16)13-6-9(12)15/h4-5,7H,6H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyVOGNAOYPZNXIDF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide

N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide (PubChem CID 155037522) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide
PubChem CID155037522
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)14-5-4-8(7-14)10(16)13-6-9(12)15/h4-5,7H,6H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyVOGNAOYPZNXIDF-UHFFFAOYSA-N
XLogP0.46
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide (CID 155037522) is N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide is CC(C)(C)n1ccc(C(=O)NCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide?
The InChIKey is VOGNAOYPZNXIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)14-5-4-8(7-14)10(16)13-6-9(12)15/h4-5,7H,6H2,1-3H3,(H2,12,15)(H,13,16).
What are the key properties of N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide?
N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide is sourced from PubChem (CID 155037522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).