tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C30H52N2O10 — CID 159916862

IUPACtert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1C=CC(O)C1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCC(O)C1
InChIInChI=1S/C15H27NO5.C15H25NO5/c2*1-14(2,3)20-12(18)16(10-7-8-11(17)9-10)13(19)21-15(4,5)6/h10-11,17H,7-9H2,1-6H3;7-8,10-11,17H,9H2,1-6H3
InChIKeyNXWXLKWUYPVFFB-UHFFFAOYSA-N
MW600.75 g/mol
LogP5.92
Rot. Bonds2

About tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 159916862) has the molecular formula C30H52N2O10 and a molecular weight of 600.75 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID159916862
Molecular FormulaC30H52N2O10
Molecular Weight600.75 g/mol
Exact Mass600.36
IUPAC Nametert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1C=CC(O)C1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCC(O)C1
InChIInChI=1S/C15H27NO5.C15H25NO5/c2*1-14(2,3)20-12(18)16(10-7-8-11(17)9-10)13(19)21-15(4,5)6/h10-11,17H,7-9H2,1-6H3;7-8,10-11,17H,9H2,1-6H3
InChIKeyNXWXLKWUYPVFFB-UHFFFAOYSA-N
XLogP5.92
TPSA152.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.75
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 159916862) is tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1C=CC(O)C1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCC(O)C1.
What is the InChIKey of tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is NXWXLKWUYPVFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5.C15H25NO5/c2*1-14(2,3)20-12(18)16(10-7-8-11(17)9-10)13(19)21-15(4,5)6/h10-11,17H,7-9H2,1-6H3;7-8,10-11,17H,9H2,1-6H3.
What are the key properties of tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 600.75 g/mol, XLogP of 5.92, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 159916862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).