ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate

C19H32N2O4 — CID 143443531

IUPACethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate
SMILESC=CC(C)C(NC(=O)[C@@H]1CCCN1C(=C)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C19H32N2O4/c1-8-13(3)16(18(23)24-9-2)20-17(22)15-11-10-12-21(15)14(4)25-19(5,6)7/h8,13,15-16H,1,4,9-12H2,2-3,5-7H3,(H,20,22)/t13?,15-,16?/m0/s1
InChIKeyOZYNKBQBFGXETI-SIWZUTFBSA-N
MW352.48 g/mol
LogP2.61
Rot. Bonds8

About ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate

ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate (PubChem CID 143443531) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate
PubChem CID143443531
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Nameethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate
SMILESC=CC(C)C(NC(=O)[C@@H]1CCCN1C(=C)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C19H32N2O4/c1-8-13(3)16(18(23)24-9-2)20-17(22)15-11-10-12-21(15)14(4)25-19(5,6)7/h8,13,15-16H,1,4,9-12H2,2-3,5-7H3,(H,20,22)/t13?,15-,16?/m0/s1
InChIKeyOZYNKBQBFGXETI-SIWZUTFBSA-N
XLogP2.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate?
The IUPAC name of ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate (CID 143443531) is ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate.
What is the SMILES notation for ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate?
The canonical SMILES for ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate is C=CC(C)C(NC(=O)[C@@H]1CCCN1C(=C)OC(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate?
The InChIKey is OZYNKBQBFGXETI-SIWZUTFBSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-8-13(3)16(18(23)24-9-2)20-17(22)15-11-10-12-21(15)14(4)25-19(5,6)7/h8,13,15-16H,1,4,9-12H2,2-3,5-7H3,(H,20,22)/t13?,15-,16?/m0/s1.
What are the key properties of ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate?
ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate has a molecular weight of 352.48 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate is sourced from PubChem (CID 143443531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).