tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate

C14H23N3O2 — CID 18453491

IUPACtert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](Cc2ncc[nH]2)C1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-11-5-4-10(8-11)9-12-15-6-7-16-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)(H,17,18)/t10-,11+/m0/s1
InChIKeyZHZYHIUXOANHIP-WDEREUQCSA-N
MW265.36 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate

tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate (PubChem CID 18453491) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate
PubChem CID18453491
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](Cc2ncc[nH]2)C1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-11-5-4-10(8-11)9-12-15-6-7-16-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)(H,17,18)/t10-,11+/m0/s1
InChIKeyZHZYHIUXOANHIP-WDEREUQCSA-N
XLogP2.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Boc-Leu-Leu-imidazol-2-yl
CID 10453249
tert-butyl N-[(1H-imidazol-2-yl)methyl]carbamate
CID 18670478
tert-butyl 2-(4-iodo-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 137935976
tert-Butyl (2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 49783269
Boc-alanyl-imidazole
CID 70426577
tert-butyl (3S)-3-(1H-imidazol-2-ylmethylamino)piperidine-1-carboxylate
CID 84592204
tert-butyl N-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]carbamate
CID 121533683
tert-butyl (2R)-2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]piperidine-1-carboxylate
CID 164635610
tert-butyl (5R)-5-(1H-imidazol-2-ylmethylamino)-3,3-dimethylazepane-1-carboxylate
CID 164636197
tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 66837257
tert-butyl (2S)-4,4-difluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 68309512
cis-(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid
CID 68833380

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate (CID 18453491) is tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Cc2ncc[nH]2)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate?
The InChIKey is ZHZYHIUXOANHIP-WDEREUQCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-11-5-4-10(8-11)9-12-15-6-7-16-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)(H,17,18)/t10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate?
tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-(1H-imidazol-2-ylmethyl)cyclopentyl]carbamate is sourced from PubChem (CID 18453491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).