benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate

C20H19NO5 — CID 10926252

IUPACbenzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate
SMILESC#CCC1(C(=O)N2C=CC[C@H]2C(=O)OCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C20H19NO5/c1-2-11-20(12-10-17(22)26-20)19(24)21-13-6-9-16(21)18(23)25-14-15-7-4-3-5-8-15/h1,3-8,13,16H,9-12,14H2/t16-,20?/m0/s1
InChIKeyBVNRJOMKUZDRJK-DJZRFWRSSA-N
MW353.37 g/mol
LogP1.94
Rot. Bonds5

About benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate

benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate (PubChem CID 10926252) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate
PubChem CID10926252
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namebenzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate
SMILESC#CCC1(C(=O)N2C=CC[C@H]2C(=O)OCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C20H19NO5/c1-2-11-20(12-10-17(22)26-20)19(24)21-13-6-9-16(21)18(23)25-14-15-7-4-3-5-8-15/h1,3-8,13,16H,9-12,14H2/t16-,20?/m0/s1
InChIKeyBVNRJOMKUZDRJK-DJZRFWRSSA-N
XLogP1.94
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(R)-2-benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 820870
Z-Pyr-OtBu
CID 10615573
2-Benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 13893414
2-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate
CID 7019799
(2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid
CID 10332958
1-Benzyl 2-tert-butyl pyrrolidine-1,2-dicarboxylate
CID 86085
benzyl (4S)-4-(4-acetyloxy-3-oxobutyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 15382403
(S)-2-benzyl 1-tert-butyl pyrrolidine-1,2-dicarboxylate
CID 11472242
2-Benzyl 1-tert-butyl pyrrolidine-1,2-dicarboxylate
CID 13822745
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-ethyl-4-fluoropyrrolidine-1,2-dicarboxylate
CID 126653832
benzyl (2S,4R)-4-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]pyrrolidine-2-carboxylate
CID 134302862

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate?
The IUPAC name of benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate (CID 10926252) is benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate.
What is the SMILES notation for benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate?
The canonical SMILES for benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate is C#CCC1(C(=O)N2C=CC[C@H]2C(=O)OCc2ccccc2)CCC(=O)O1.
What is the InChIKey of benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate?
The InChIKey is BVNRJOMKUZDRJK-DJZRFWRSSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-11-20(12-10-17(22)26-20)19(24)21-13-6-9-16(21)18(23)25-14-15-7-4-3-5-8-15/h1,3-8,13,16H,9-12,14H2/t16-,20?/m0/s1.
What are the key properties of benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate?
benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-1-(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)-2,3-dihydropyrrole-2-carboxylate is sourced from PubChem (CID 10926252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).