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

C18H29NO5 — CID 10947772

IUPACtert-butyl (4S,5R)-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-UONOGXRCSA-N
MW339.43 g/mol
LogP4.04
Rot. Bonds3

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

tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 10947772) has the molecular formula C18H29NO5 and a molecular weight of 339.43 g/mol. Its IUPAC name is tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID10947772
Molecular FormulaC18H29NO5
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Nametert-butyl (4S,5R)-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-UONOGXRCSA-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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Launch Full Analysis

Related Compounds

tert-butyl (4S,5S)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate
CID 11099856
tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate
CID 134971948
tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11500350
tert-butyl (4S)-4-[(R)-cycloocten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69703877
tert-butyl 4-[(R)-cycloocten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69703880
Tert-butyl 4-[cycloocten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69704079
Tert-butyl 4-[cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69704363
tert-butyl (4S)-4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69704715
tert-butyl (4S)-4-[cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69704717
tert-butyl (4S)-4-[(R)-[(1E)-cycloocten-1-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 87956595
tert-butyl (4S)-4-[[(1Z)-cycloocten-1-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 87956596
tert-butyl 4-[[(1E)-cycloocten-1-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 87956692

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate (CID 10947772) is tert-butyl (4S,5R)-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,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-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,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is PFEYRGCYTGZSPR-UONOGXRCSA-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,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-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,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10947772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).