ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate

C10H15NO3 — CID 135039747

IUPACethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H]1CCC(=O)N1
InChIInChI=1S/C10H15NO3/c1-3-14-10(13)7(2)6-8-4-5-9(12)11-8/h6,8H,3-5H2,1-2H3,(H,11,12)/b7-6+/t8-/m0/s1
InChIKeyIIETTWVVCVZZJA-CZEYKFRCSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds3

About ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate

ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate (PubChem CID 135039747) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate
PubChem CID135039747
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H]1CCC(=O)N1
InChIInChI=1S/C10H15NO3/c1-3-14-10(13)7(2)6-8-4-5-9(12)11-8/h6,8H,3-5H2,1-2H3,(H,11,12)/b7-6+/t8-/m0/s1
InChIKeyIIETTWVVCVZZJA-CZEYKFRCSA-N
XLogP0.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-4-amino-2-fluoro-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 168181339
ethyl (Z,4S)-4-amino-2-fluoro-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 168183041
(2E,4S)-4-Amino-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Ethyl Ester
CID 11042424
ethyl (E,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 11067781
ethyl (2E)-3-(pyrrolidin-2-yl)prop-2-enoate
CID 12155153
ethyl (E)-3-[(2S)-pyrrolidin-2-yl]prop-2-enoate
CID 15482183
Methyl 4-(acetylamino)-1-cyclopentene-1-carboxylate
CID 19822736
ethyl (E)-4-(aminophosphanylideneamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 22976984
propan-2-yl (E)-7-(2-methylprop-2-enoylamino)-4-oxohept-2-enoate
CID 58298934
ethyl (E,4S)-4-amino-7-(methylamino)-7-oxohept-2-enoate
CID 59038154
ethyl (E,4S)-4-acetamido-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 59100752
(3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one
CID 59975133

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate (CID 135039747) is ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate is CCOC(=O)/C(C)=C/[C@@H]1CCC(=O)N1.
What is the InChIKey of ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate?
The InChIKey is IIETTWVVCVZZJA-CZEYKFRCSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-14-10(13)7(2)6-8-4-5-9(12)11-8/h6,8H,3-5H2,1-2H3,(H,11,12)/b7-6+/t8-/m0/s1.
What are the key properties of ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate?
ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate has a molecular weight of 197.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate is sourced from PubChem (CID 135039747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).