tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate

C17H29NO3 — CID 107092003

IUPACtert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate
SMILESCC1CCCC(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H29NO3/c1-12-6-5-7-13(10-12)15(19)14-8-9-18(11-14)16(20)21-17(2,3)4/h12-14H,5-11H2,1-4H3
InChIKeyMPMCHHDRZJWEMN-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate

tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate (PubChem CID 107092003) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate
PubChem CID107092003
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nametert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate
SMILESCC1CCCC(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H29NO3/c1-12-6-5-7-13(10-12)15(19)14-8-9-18(11-14)16(20)21-17(2,3)4/h12-14H,5-11H2,1-4H3
InChIKeyMPMCHHDRZJWEMN-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(3-methylcyclohexanecarbonyl)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 (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 3-[(cyclobutanecarbonylamino)carbamoyl]azetidine-1-carboxylate
CID 163488927
tert-butyl (3R,5S)-3-acetyl-5-methylpiperidine-1-carboxylate
CID 178195276
tert-butyl 4-[(2S,6R)-2,6-dimethylazepane-1-carbonyl]piperidine-1-carboxylate
CID 95776693
tert-butyl (3R)-3-oxaldehydoylpyrrolidine-1-carboxylate
CID 171085787
tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 129314371
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate (CID 107092003) is tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate is CC1CCCC(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate?
The InChIKey is MPMCHHDRZJWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-12-6-5-7-13(10-12)15(19)14-8-9-18(11-14)16(20)21-17(2,3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).