tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate

C18H29NO5 — CID 11099856

IUPACtert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC[C@H]1[C@H](C2=CCCC2)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29NO5/c1-17(2,3)22-11-13-14(12-9-7-8-10-12)23-15(20)19(13)16(21)24-18(4,5)6/h9,13-14H,7-8,10-11H2,1-6H3/t13-,14-/m0/s1
InChIKeyPFEYRGCYTGZSPR-KBPBESRZSA-N
MW339.43 g/mol
LogP4.04
Rot. Bonds3

About tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 11099856) has the molecular formula C18H29NO5 and a molecular weight of 339.43 g/mol. Its IUPAC name is tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID11099856
Molecular FormulaC18H29NO5
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Nametert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC[C@H]1[C@H](C2=CCCC2)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29NO5/c1-17(2,3)22-11-13-14(12-9-7-8-10-12)23-15(20)19(13)16(21)24-18(4,5)6/h9,13-14H,7-8,10-11H2,1-6H3/t13-,14-/m0/s1
InChIKeyPFEYRGCYTGZSPR-KBPBESRZSA-N
XLogP4.04
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate (CID 11099856) is tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC[C@H]1[C@H](C2=CCCC2)OC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is PFEYRGCYTGZSPR-KBPBESRZSA-N. The full InChI is InChI=1S/C18H29NO5/c1-17(2,3)22-11-13-14(12-9-7-8-10-12)23-15(20)19(13)16(21)24-18(4,5)6/h9,13-14H,7-8,10-11H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 339.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11099856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).