(3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile

C11H17N3 — CID 55277492

IUPAC(3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile
SMILESCC(C)(C)n1ccc([C@H](N)CC#N)c1
InChIInChI=1S/C11H17N3/c1-11(2,3)14-7-5-9(8-14)10(13)4-6-12/h5,7-8,10H,4,13H2,1-3H3/t10-/m1/s1
InChIKeyLFMOWSNJXRRFEW-SNVBAGLBSA-N
MW191.28 g/mol
LogP2.16
Rot. Bonds2

About (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile

(3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile (PubChem CID 55277492) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile
PubChem CID55277492
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile
SMILESCC(C)(C)n1ccc([C@H](N)CC#N)c1
InChIInChI=1S/C11H17N3/c1-11(2,3)14-7-5-9(8-14)10(13)4-6-12/h5,7-8,10H,4,13H2,1-3H3/t10-/m1/s1
InChIKeyLFMOWSNJXRRFEW-SNVBAGLBSA-N
XLogP2.16
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile 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

(3S)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile
CID 130665458
(3S)-3-amino-3-(1-tert-butylpyrrol-2-yl)propanenitrile
CID 130614434
3-amino-3-(4-propan-2-ylphenyl)propanenitrile
CID 55271456
3-amino-3-thiophen-3-ylpropanenitrile
CID 55293748
(3S)-3-amino-3-(4-ethylphenyl)propanenitrile
CID 95435347
(3R)-3-amino-3-(3-bromo-4-methylphenyl)propanenitrile
CID 131026751
(3S)-3-amino-3-[4-(dimethylamino)phenyl]propanenitrile
CID 95436537
5-[3-(1-aminopropyl)pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 79104614
4-[(1S)-1-amino-2-cyanoethyl]benzoic acid
CID 130706454
(3R)-3-amino-3-(4-bromophenyl)propanenitrile;hydrochloride
CID 162344433
(3S)-3-amino-3-(4-iodophenyl)propanenitrile;hydrochloride
CID 171259922
(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propanenitrile;hydrochloride
CID 171260201

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile (CID 55277492) is (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile is CC(C)(C)n1ccc([C@H](N)CC#N)c1.
What is the InChIKey of (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile?
The InChIKey is LFMOWSNJXRRFEW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2,3)14-7-5-9(8-14)10(13)4-6-12/h5,7-8,10H,4,13H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile?
(3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile has a molecular weight of 191.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile is sourced from PubChem (CID 55277492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).