methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate

C14H22N2O5 — CID 146099920

IUPACmethyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate
SMILESCOCCN1CC(C(=O)NCC/C=C/C(=O)OC)CC1=O
InChIInChI=1S/C14H22N2O5/c1-20-8-7-16-10-11(9-12(16)17)14(19)15-6-4-3-5-13(18)21-2/h3,5,11H,4,6-10H2,1-2H3,(H,15,19)/b5-3+
InChIKeyJPOZZGXABCCVFH-HWKANZROSA-N
MW298.34 g/mol
LogP-0.28
Rot. Bonds8

About methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate

methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate (PubChem CID 146099920) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate
PubChem CID146099920
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Namemethyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate
SMILESCOCCN1CC(C(=O)NCC/C=C/C(=O)OC)CC1=O
InChIInChI=1S/C14H22N2O5/c1-20-8-7-16-10-11(9-12(16)17)14(19)15-6-4-3-5-13(18)21-2/h3,5,11H,4,6-10H2,1-2H3,(H,15,19)/b5-3+
InChIKeyJPOZZGXABCCVFH-HWKANZROSA-N
XLogP-0.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pent-2-enoate
CID 146099845
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871
N-[2-(2-hydroxyethoxy)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55024342
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
1-(2-methoxyethyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 119444938
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
1-(2-methoxyethyl)-5-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 171675304
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 115744579
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
N-(2-hydroxy-4-methylpentyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 103771606

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate?
The IUPAC name of methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate (CID 146099920) is methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate.
What is the SMILES notation for methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate?
The canonical SMILES for methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate is COCCN1CC(C(=O)NCC/C=C/C(=O)OC)CC1=O.
What is the InChIKey of methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate?
The InChIKey is JPOZZGXABCCVFH-HWKANZROSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-20-8-7-16-10-11(9-12(16)17)14(19)15-6-4-3-5-13(18)21-2/h3,5,11H,4,6-10H2,1-2H3,(H,15,19)/b5-3+.
What are the key properties of methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate?
methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate has a molecular weight of 298.34 g/mol, XLogP of -0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate is sourced from PubChem (CID 146099920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).