tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate

C19H31N3O3 — CID 75456605

IUPACtert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCC1)C(=O)NC1CN(C(=O)OC(C)(C)C)CC1C#N
InChIInChI=1S/C19H31N3O3/c1-13(9-14-7-5-6-8-14)17(23)21-16-12-22(11-15(16)10-20)18(24)25-19(2,3)4/h13-16H,5-9,11-12H2,1-4H3,(H,21,23)
InChIKeyMUZKANIISIPJEJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.08
Rot. Bonds4

About tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate (PubChem CID 75456605) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate
PubChem CID75456605
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nametert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCC1)C(=O)NC1CN(C(=O)OC(C)(C)C)CC1C#N
InChIInChI=1S/C19H31N3O3/c1-13(9-14-7-5-6-8-14)17(23)21-16-12-22(11-15(16)10-20)18(24)25-19(2,3)4/h13-16H,5-9,11-12H2,1-4H3,(H,21,23)
InChIKeyMUZKANIISIPJEJ-UHFFFAOYSA-N
XLogP3.08
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate 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

tert-butyl 3-cyano-4-(methylamino)pyrrolidine-1-carboxylate
CID 130667425
tert-butyl (3R,4S)-3-cyano-4-[(1-methylpiperidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 97342026
tert-butyl (3S,4R)-3-cyano-4-methylpyrrolidine-1-carboxylate
CID 58030017
tert-butyl 4-cyano-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 142582609
4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 83681070
tert-butyl 3-[2-cyclopentyl-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092330
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate
CID 83670143
tert-butyl 3-(2-aminopropyl)azepane-1-carboxylate
CID 83913154
tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
CID 107093178
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686
tert-butyl (4S)-3-(1-cyclopropylethylamino)-4-methoxypyrrolidine-1-carboxylate
CID 103904518

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate (CID 75456605) is tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate is CC(CC1CCCC1)C(=O)NC1CN(C(=O)OC(C)(C)C)CC1C#N.
What is the InChIKey of tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is MUZKANIISIPJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13(9-14-7-5-6-8-14)17(23)21-16-12-22(11-15(16)10-20)18(24)25-19(2,3)4/h13-16H,5-9,11-12H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyano-4-[(3-cyclopentyl-2-methylpropanoyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 75456605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).