[(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate

C19H35NO5Si — CID 11773568

IUPAC[(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate
SMILESCCOC(=O)N(CCCO[Si](C)(C)C(C)(C)C)[C@@H]1C=C[C@H](OC(C)=O)C1
InChIInChI=1S/C19H35NO5Si/c1-8-23-18(22)20(16-10-11-17(14-16)25-15(2)21)12-9-13-24-26(6,7)19(3,4)5/h10-11,16-17H,8-9,12-14H2,1-7H3/t16-,17+/m1/s1
InChIKeyUAEFUCQAUAEEQH-SJORKVTESA-N
MW385.58 g/mol
LogP4.12
Rot. Bonds8

About [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate

[(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate (PubChem CID 11773568) has the molecular formula C19H35NO5Si and a molecular weight of 385.58 g/mol. Its IUPAC name is [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate
PubChem CID11773568
Molecular FormulaC19H35NO5Si
Molecular Weight385.58 g/mol
Exact Mass385.23
IUPAC Name[(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate
SMILESCCOC(=O)N(CCCO[Si](C)(C)C(C)(C)C)[C@@H]1C=C[C@H](OC(C)=O)C1
InChIInChI=1S/C19H35NO5Si/c1-8-23-18(22)20(16-10-11-17(14-16)25-15(2)21)12-9-13-24-26(6,7)19(3,4)5/h10-11,16-17H,8-9,12-14H2,1-7H3/t16-,17+/m1/s1
InChIKeyUAEFUCQAUAEEQH-SJORKVTESA-N
XLogP4.12
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate 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 [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate (CID 11773568) is [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate is CCOC(=O)N(CCCO[Si](C)(C)C(C)(C)C)[C@@H]1C=C[C@H](OC(C)=O)C1.
What is the InChIKey of [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate?
The InChIKey is UAEFUCQAUAEEQH-SJORKVTESA-N. The full InChI is InChI=1S/C19H35NO5Si/c1-8-23-18(22)20(16-10-11-17(14-16)25-15(2)21)12-9-13-24-26(6,7)19(3,4)5/h10-11,16-17H,8-9,12-14H2,1-7H3/t16-,17+/m1/s1.
What are the key properties of [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate has a molecular weight of 385.58 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl-ethoxycarbonylamino]cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 11773568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).