methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate

C11H19NO6 — CID 24754572

IUPACmethyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate
SMILESCOCO[C@@H]1[C@@H](NC(=O)OC)C=C[C@H]1OCOC
InChIInChI=1S/C11H19NO6/c1-14-6-17-9-5-4-8(12-11(13)16-3)10(9)18-7-15-2/h4-5,8-10H,6-7H2,1-3H3,(H,12,13)/t8-,9+,10+/m0/s1
InChIKeyUTCZDLBNGZEOHL-IVZWLZJFSA-N
MW261.27 g/mol
LogP0.26
Rot. Bonds7

About methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate

methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate (PubChem CID 24754572) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate
PubChem CID24754572
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Namemethyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate
SMILESCOCO[C@@H]1[C@@H](NC(=O)OC)C=C[C@H]1OCOC
InChIInChI=1S/C11H19NO6/c1-14-6-17-9-5-4-8(12-11(13)16-3)10(9)18-7-15-2/h4-5,8-10H,6-7H2,1-3H3,(H,12,13)/t8-,9+,10+/m0/s1
InChIKeyUTCZDLBNGZEOHL-IVZWLZJFSA-N
XLogP0.26
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]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 methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate (CID 24754572) is methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate is COCO[C@@H]1[C@@H](NC(=O)OC)C=C[C@H]1OCOC.
What is the InChIKey of methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate?
The InChIKey is UTCZDLBNGZEOHL-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H19NO6/c1-14-6-17-9-5-4-8(12-11(13)16-3)10(9)18-7-15-2/h4-5,8-10H,6-7H2,1-3H3,(H,12,13)/t8-,9+,10+/m0/s1.
What are the key properties of methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate?
methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate has a molecular weight of 261.27 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S,4R,5R)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 24754572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).