tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate

C21H37NO4 — CID 161176511

IUPACtert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate
SMILESCC(C)C[C@H](CC1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC1CCCC1
InChIInChI=1S/C21H37NO4/c1-15(2)12-17(19(23)25-18-8-6-7-9-18)13-16-10-11-22(14-16)20(24)26-21(3,4)5/h15-18H,6-14H2,1-5H3/t16?,17-/m1/s1
InChIKeyJWGBGEBYSPBDRN-ZYMOGRSISA-N
MW367.53 g/mol
LogP4.78
Rot. Bonds6

About tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate

tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate (PubChem CID 161176511) has the molecular formula C21H37NO4 and a molecular weight of 367.53 g/mol. Its IUPAC name is tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate
PubChem CID161176511
Molecular FormulaC21H37NO4
Molecular Weight367.53 g/mol
Exact Mass367.27
IUPAC Nametert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate
SMILESCC(C)C[C@H](CC1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC1CCCC1
InChIInChI=1S/C21H37NO4/c1-15(2)12-17(19(23)25-18-8-6-7-9-18)13-16-10-11-22(14-16)20(24)26-21(3,4)5/h15-18H,6-14H2,1-5H3/t16?,17-/m1/s1
InChIKeyJWGBGEBYSPBDRN-ZYMOGRSISA-N
XLogP4.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]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-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate;tert-butyl 3-oxopyrrolidine-1-carboxylate;cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylmethyl)pentanoate
CID 161176509
tert-butyl 3-(2-aminopropyl)azepane-1-carboxylate
CID 83913154
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730214
tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 69161841
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
tert-butyl 4-(2-aminopropyl)azepane-1-carboxylate
CID 83913153
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-[(5-methylhexan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104538164
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 152550195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate (CID 161176511) is tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate is CC(C)C[C@H](CC1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC1CCCC1.
What is the InChIKey of tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate?
The InChIKey is JWGBGEBYSPBDRN-ZYMOGRSISA-N. The full InChI is InChI=1S/C21H37NO4/c1-15(2)12-17(19(23)25-18-8-6-7-9-18)13-16-10-11-22(14-16)20(24)26-21(3,4)5/h15-18H,6-14H2,1-5H3/t16?,17-/m1/s1.
What are the key properties of tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate has a molecular weight of 367.53 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2R)-2-cyclopentyloxycarbonyl-4-methylpentyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 161176511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).