4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide

C12H19N3O2 — CID 114118438

IUPAC4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide
SMILESCOC1CC(NC(=O)c2cc(N)c[nH]2)C1(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2)9(5-10(12)17-3)15-11(16)8-4-7(13)6-14-8/h4,6,9-10,14H,5,13H2,1-3H3,(H,15,16)
InChIKeyGYPSLLOKXQEKAZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.14
Rot. Bonds3

About 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide

4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide (PubChem CID 114118438) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide
PubChem CID114118438
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide
SMILESCOC1CC(NC(=O)c2cc(N)c[nH]2)C1(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2)9(5-10(12)17-3)15-11(16)8-4-7(13)6-14-8/h4,6,9-10,14H,5,13H2,1-3H3,(H,15,16)
InChIKeyGYPSLLOKXQEKAZ-UHFFFAOYSA-N
XLogP1.14
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide (CID 114118438) is 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide is COC1CC(NC(=O)c2cc(N)c[nH]2)C1(C)C.
What is the InChIKey of 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide?
The InChIKey is GYPSLLOKXQEKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2)9(5-10(12)17-3)15-11(16)8-4-7(13)6-14-8/h4,6,9-10,14H,5,13H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114118438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).