ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate

C16H25N3O4 — CID 92894389

IUPACethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)noc1CC
InChIInChI=1S/C16H25N3O4/c1-5-13-14(10(3)18-23-13)12-8-7-9-19(12)16(21)17-11(4)15(20)22-6-2/h11-12H,5-9H2,1-4H3,(H,17,21)/t11-,12+/m1/s1
InChIKeyAEJFUPOLHPPXEP-NEPJUHHUSA-N
MW323.39 g/mol
LogP2.34
Rot. Bonds5

About ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate

ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate (PubChem CID 92894389) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate
PubChem CID92894389
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nameethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)noc1CC
InChIInChI=1S/C16H25N3O4/c1-5-13-14(10(3)18-23-13)12-8-7-9-19(12)16(21)17-11(4)15(20)22-6-2/h11-12H,5-9H2,1-4H3,(H,17,21)/t11-,12+/m1/s1
InChIKeyAEJFUPOLHPPXEP-NEPJUHHUSA-N
XLogP2.34
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate with MolForge

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Related Compounds

(2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92732734
ethyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894354
ethyl (2R)-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]propanoate
CID 93070486
methyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894383
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
N-(4-bromophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808695
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 50809164
(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 92894338
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894316
(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 92894306
(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 92878286
N-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 47001829

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate (CID 92894389) is ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)noc1CC.
What is the InChIKey of ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate?
The InChIKey is AEJFUPOLHPPXEP-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-5-13-14(10(3)18-23-13)12-8-7-9-19(12)16(21)17-11(4)15(20)22-6-2/h11-12H,5-9H2,1-4H3,(H,17,21)/t11-,12+/m1/s1.
What are the key properties of ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate?
ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate has a molecular weight of 323.39 g/mol, XLogP of 2.34, 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-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 92894389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).