3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide

C13H21N3O — CID 115161762

IUPAC3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide
SMILESCC(C)(CNC(=O)C1CC(N)C1)c1cc[nH]c1
InChIInChI=1S/C13H21N3O/c1-13(2,10-3-4-15-7-10)8-16-12(17)9-5-11(14)6-9/h3-4,7,9,11,15H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeyRQZJVGYQZFXKIQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.15
Rot. Bonds4

About 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide

3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide (PubChem CID 115161762) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide
PubChem CID115161762
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide
SMILESCC(C)(CNC(=O)C1CC(N)C1)c1cc[nH]c1
InChIInChI=1S/C13H21N3O/c1-13(2,10-3-4-15-7-10)8-16-12(17)9-5-11(14)6-9/h3-4,7,9,11,15H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeyRQZJVGYQZFXKIQ-UHFFFAOYSA-N
XLogP1.15
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115153925
2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115179044
3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161777
3-amino-N-(2-methyl-2-pyridin-2-ylpropyl)cyclobutane-1-carboxamide
CID 115161770
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161764
3,3-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]-4-oxobutanoic acid
CID 115164919
2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187443
2-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]carbamoyl]butanoic acid
CID 115186116
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
CID 115159125
3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide (CID 115161762) is 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide is CC(C)(CNC(=O)C1CC(N)C1)c1cc[nH]c1.
What is the InChIKey of 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide?
The InChIKey is RQZJVGYQZFXKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,10-3-4-15-7-10)8-16-12(17)9-5-11(14)6-9/h3-4,7,9,11,15H,5-6,8,14H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide?
3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).