tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate

C17H29N3O2 — CID 102970623

IUPACtert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate
SMILESCCC1CCc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C(C)C)nc21
InChIInChI=1S/C17H29N3O2/c1-7-11-8-9-12-14(11)19-15(18-12)13(10(2)3)20-16(21)22-17(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,18,19)(H,20,21)/t11?,13-/m0/s1
InChIKeyCCBPGRAPZXFCQP-YUZLPWPTSA-N
MW307.44 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate

tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate (PubChem CID 102970623) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate
PubChem CID102970623
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate
SMILESCCC1CCc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C(C)C)nc21
InChIInChI=1S/C17H29N3O2/c1-7-11-8-9-12-14(11)19-15(18-12)13(10(2)3)20-16(21)22-17(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,18,19)(H,20,21)/t11?,13-/m0/s1
InChIKeyCCBPGRAPZXFCQP-YUZLPWPTSA-N
XLogP4.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamate
CID 102970009
tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate
CID 102970179
tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate
CID 58783549
tert-butyl N-[1-[5-chloro-4-[4-[4-[5-chloro-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]carbamate
CID 123251841
tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate
CID 102970025
tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate
CID 102970448
methyl (4R)-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 10520459
tert-butyl N-[(1S)-2-methyl-1-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propyl]carbamate
CID 102095024
methyl 2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 10947036
tert-butyl N-[2-[(7-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]ethyl]carbamate
CID 103278713
tert-butyl N-[(1S)-2-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)butyl]carbamate
CID 2771978
methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate
CID 6709754

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate (CID 102970623) is tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate is CCC1CCc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C(C)C)nc21.
What is the InChIKey of tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate?
The InChIKey is CCBPGRAPZXFCQP-YUZLPWPTSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-7-11-8-9-12-14(11)19-15(18-12)13(10(2)3)20-16(21)22-17(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,18,19)(H,20,21)/t11?,13-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate?
tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate has a molecular weight of 307.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 102970623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).