ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate

C15H23N3O4 — CID 93070486

IUPACethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCC[C@H]1c1cc(CC)no1
InChIInChI=1S/C15H23N3O4/c1-4-11-9-13(22-17-11)12-7-6-8-18(12)15(20)16-10(3)14(19)21-5-2/h9-10,12H,4-8H2,1-3H3,(H,16,20)/t10-,12+/m1/s1
InChIKeyZFHZMQCFVVJBTB-PWSUYJOCSA-N
MW309.37 g/mol
LogP2.04
Rot. Bonds5

About ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate

ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate (PubChem CID 93070486) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate
PubChem CID93070486
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nameethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCC[C@H]1c1cc(CC)no1
InChIInChI=1S/C15H23N3O4/c1-4-11-9-13(22-17-11)12-7-6-8-18(12)15(20)16-10(3)14(19)21-5-2/h9-10,12H,4-8H2,1-3H3,(H,16,20)/t10-,12+/m1/s1
InChIKeyZFHZMQCFVVJBTB-PWSUYJOCSA-N
XLogP2.04
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate with MolForge

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Related Compounds

ethyl 2-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 93070433
ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate
CID 92894389
N-cyclohexyl-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001949
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92731941
(2R)-2-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95079867
N-(2,5-dimethylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001543
N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001152
2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50945289
N-(2-chlorophenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096422
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895
(2S)-2-(3-ethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 95079971
ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079952

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate (CID 93070486) is ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)N1CCC[C@H]1c1cc(CC)no1.
What is the InChIKey of ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate?
The InChIKey is ZFHZMQCFVVJBTB-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-11-9-13(22-17-11)12-7-6-8-18(12)15(20)16-10(3)14(19)21-5-2/h9-10,12H,4-8H2,1-3H3,(H,16,20)/t10-,12+/m1/s1.
What are the key properties of ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate?
ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate has a molecular weight of 309.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 93070486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).