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

C14H23N3O3 — CID 102970179

IUPACtert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate
SMILESCC1CCc2[nH]c(C(CO)NC(=O)OC(C)(C)C)nc21
InChIInChI=1S/C14H23N3O3/c1-8-5-6-9-11(8)17-12(15-9)10(7-18)16-13(19)20-14(2,3)4/h8,10,18H,5-7H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyFONDMASZDXQDKG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.02
Rot. Bonds3

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

tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate (PubChem CID 102970179) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate
PubChem CID102970179
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate
SMILESCC1CCc2[nH]c(C(CO)NC(=O)OC(C)(C)C)nc21
InChIInChI=1S/C14H23N3O3/c1-8-5-6-9-11(8)17-12(15-9)10(7-18)16-13(19)20-14(2,3)4/h8,10,18H,5-7H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyFONDMASZDXQDKG-UHFFFAOYSA-N
XLogP2.02
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-2-hydroxyethyl]carbamate
CID 102970126
tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate
CID 102970623
tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate
CID 135392522
tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate
CID 102970150
tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate
CID 102970025
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[2-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamate
CID 102970009
tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 125181056
tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate
CID 114705783
tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116861036
tert-butyl N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]carbamate
CID 118054562
tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate
CID 163918974

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate (CID 102970179) is tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate is CC1CCc2[nH]c(C(CO)NC(=O)OC(C)(C)C)nc21.
What is the InChIKey of tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate?
The InChIKey is FONDMASZDXQDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8-5-6-9-11(8)17-12(15-9)10(7-18)16-13(19)20-14(2,3)4/h8,10,18H,5-7H2,1-4H3,(H,15,17)(H,16,19).
What are the key properties of tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 102970179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).