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

C11H17N3O — CID 115161673

IUPAC3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCCc2ccc[nH]2)C1
InChIInChI=1S/C11H17N3O/c12-9-6-8(7-9)11(15)14-5-3-10-2-1-4-13-10/h1-2,4,8-9,13H,3,5-7,12H2,(H,14,15)
InChIKeyXKMUCRAYTOKPQH-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.41
Rot. Bonds4

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

3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 115161673) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID115161673
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCCc2ccc[nH]2)C1
InChIInChI=1S/C11H17N3O/c12-9-6-8(7-9)11(15)14-5-3-10-2-1-4-13-10/h1-2,4,8-9,13H,3,5-7,12H2,(H,14,15)
InChIKeyXKMUCRAYTOKPQH-UHFFFAOYSA-N
XLogP0.41
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]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

N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide
CID 130684110
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115166553
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
1-(2-methoxyethyl)-5-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 171675304
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162633
N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide
CID 110461302
3-amino-4-oxo-4-[2-(1H-pyrrol-2-yl)ethylamino]butanoic acid
CID 115181331
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
CID 83635683
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
3-cyano-N-[2-(1H-pyrrol-2-yl)ethyl]oxetane-3-carboxamide
CID 115184815

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide (CID 115161673) is 3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide is NC1CC(C(=O)NCCc2ccc[nH]2)C1.
What is the InChIKey of 3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is XKMUCRAYTOKPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-9-6-8(7-9)11(15)14-5-3-10-2-1-4-13-10/h1-2,4,8-9,13H,3,5-7,12H2,(H,14,15).
What are the key properties of 3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide?
3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.41, 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-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).