tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate

C16H25N3O2 — CID 114703665

IUPACtert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cncn1CC1CC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-8-4-5-13(19)14-9-17-11-18(14)10-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3
InChIKeyCDBBGQRAEDEGKC-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate

tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate (PubChem CID 114703665) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate
PubChem CID114703665
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cncn1CC1CC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-8-4-5-13(19)14-9-17-11-18(14)10-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3
InChIKeyCDBBGQRAEDEGKC-UHFFFAOYSA-N
XLogP3.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]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 (2S)-2-(3-prop-2-enylimidazol-4-yl)pyrrolidine-1-carboxylate
CID 114986201
tert-butyl (2S)-2-[3-(3-aminopropyl)imidazol-4-yl]pyrrolidine-1-carboxylate
CID 114986239
tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate
CID 114986197
tert-butyl (2S)-2-(1H-imidazol-5-yl)pyrrolidine-1-carboxylate
CID 114986170
tert-butyl 3-[(5-methylimidazol-1-yl)methyl]azepane-1-carboxylate
CID 101211732
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
CID 175471053
tert-butyl 5-bromo-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]imidazole-1-carboxylate
CID 58310114
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
ethyl 3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]triazole-4-carboxylate
CID 101407047
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-[4-(2-bromoacetyl)phenyl]pyrrolidine-1-carboxylate
CID 170717202

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate (CID 114703665) is tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1cncn1CC1CC1.
What is the InChIKey of tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate?
The InChIKey is CDBBGQRAEDEGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-8-4-5-13(19)14-9-17-11-18(14)10-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate?
tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 114703665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).