tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate

C23H29NO5 — CID 58913347

IUPACtert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
SMILESC=CC[C@@H](C(=O)OC(C)(C)C)[C@@H]1CC1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C23H29NO5/c1-5-9-17(21(26)29-23(2,3)4)18-13-19(18)20(25)24-16(14-28-22(24)27)12-15-10-7-6-8-11-15/h5-8,10-11,16-19H,1,9,12-14H2,2-4H3/t16-,17-,18+,19?/m1/s1
InChIKeyNJFOEINNRLECGP-KAKFPZCNSA-N
MW399.49 g/mol
LogP3.75
Rot. Bonds7

About tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate

tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate (PubChem CID 58913347) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
PubChem CID58913347
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Nametert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
SMILESC=CC[C@@H](C(=O)OC(C)(C)C)[C@@H]1CC1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C23H29NO5/c1-5-9-17(21(26)29-23(2,3)4)18-13-19(18)20(25)24-16(14-28-22(24)27)12-15-10-7-6-8-11-15/h5-8,10-11,16-19H,1,9,12-14H2,2-4H3/t16-,17-,18+,19?/m1/s1
InChIKeyNJFOEINNRLECGP-KAKFPZCNSA-N
XLogP3.75
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
CID 142892648
tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]hex-5-enoate
CID 10981603
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]pyrrolidine-1,3-dicarboxylate
CID 90130610
tert-butyl (4S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-4-phenylhept-6-enoate
CID 66586464
tert-butyl 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-4-phenylpyrrolidine-1-carboxylate
CID 142165677
(4S)-4-benzyl-3-[(2S)-2-bromopent-4-enoyl]-1,3-oxazolidin-2-one
CID 14604020
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 159175739
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 118160677
tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate
CID 20802578
(4S)-4-benzyl-3-(4,4-dimethylpent-2-enoyl)-1,3-oxazolidin-2-one
CID 91131954
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871815
(4R)-4-benzyl-3-[(3S,4R)-3-methyloxane-4-carbonyl]-1,3-oxazolidin-2-one
CID 68847598

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate?
The IUPAC name of tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate (CID 58913347) is tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate.
What is the SMILES notation for tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate?
The canonical SMILES for tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate is C=CC[C@@H](C(=O)OC(C)(C)C)[C@@H]1CC1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate?
The InChIKey is NJFOEINNRLECGP-KAKFPZCNSA-N. The full InChI is InChI=1S/C23H29NO5/c1-5-9-17(21(26)29-23(2,3)4)18-13-19(18)20(25)24-16(14-28-22(24)27)12-15-10-7-6-8-11-15/h5-8,10-11,16-19H,1,9,12-14H2,2-4H3/t16-,17-,18+,19?/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate?
tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate has a molecular weight of 399.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate is sourced from PubChem (CID 58913347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).