tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate

C18H29NO4 — CID 134971948

IUPACtert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)C[C@H]1[C@@H](C2=CCCC2)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29NO4/c1-17(2,3)11-13-14(12-9-7-8-10-12)22-15(20)19(13)16(21)23-18(4,5)6/h9,13-14H,7-8,10-11H2,1-6H3/t13-,14+/m0/s1
InChIKeyMWCAGIDRWKKQKO-UONOGXRCSA-N
MW323.43 g/mol
LogP4.66
Rot. Bonds2

About tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 134971948) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID134971948
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Nametert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)C[C@H]1[C@@H](C2=CCCC2)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29NO4/c1-17(2,3)11-13-14(12-9-7-8-10-12)22-15(20)19(13)16(21)23-18(4,5)6/h9,13-14H,7-8,10-11H2,1-6H3/t13-,14+/m0/s1
InChIKeyMWCAGIDRWKKQKO-UONOGXRCSA-N
XLogP4.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
(s)-t-Butyl 2-((s)-1-methoxy-3,3,5-trimethylhex-4-enyl)pyrrolidine-1-carboxylate
CID 129830870
tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-[(2-methylpropan-2-yl)oxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylate
CID 10947772

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate (CID 134971948) is tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)C[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-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is MWCAGIDRWKKQKO-UONOGXRCSA-N. The full InChI is InChI=1S/C18H29NO4/c1-17(2,3)11-13-14(12-9-7-8-10-12)22-15(20)19(13)16(21)23-18(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-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 323.43 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-5-(cyclopenten-1-yl)-4-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134971948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).