tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate

C14H25NO3 — CID 90997198

IUPACtert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=C[C@](C)(C(C)(C)O)C1
InChIInChI=1S/C14H25NO3/c1-12(2,3)18-11(16)15-10-7-8-14(6,9-10)13(4,5)17/h7-8,10,17H,9H2,1-6H3,(H,15,16)/t10-,14+/m1/s1
InChIKeyOUKZUMYMTISPDK-YGRLFVJLSA-N
MW255.36 g/mol
LogP2.62
Rot. Bonds2

About tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate

tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate (PubChem CID 90997198) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate
PubChem CID90997198
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=C[C@](C)(C(C)(C)O)C1
InChIInChI=1S/C14H25NO3/c1-12(2,3)18-11(16)15-10-7-8-14(6,9-10)13(4,5)17/h7-8,10,17H,9H2,1-6H3,(H,15,16)/t10-,14+/m1/s1
InChIKeyOUKZUMYMTISPDK-YGRLFVJLSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 91827558
(1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylic acid
CID 59833565
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
methyl (1R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 86313516
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 70805737
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
ethyl (1S,2R,5S)-2-hydroxy-2-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylate
CID 24808704
tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate
CID 102483030
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate (CID 90997198) is tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C=C[C@](C)(C(C)(C)O)C1.
What is the InChIKey of tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate?
The InChIKey is OUKZUMYMTISPDK-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2,3)18-11(16)15-10-7-8-14(6,9-10)13(4,5)17/h7-8,10,17H,9H2,1-6H3,(H,15,16)/t10-,14+/m1/s1.
What are the key properties of tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate?
tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,4R)-4-(2-hydroxypropan-2-yl)-4-methylcyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 90997198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).