methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate

C16H24N2O5 — CID 157355378

IUPACmethyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate
SMILESC=C1C=CC(=O)N1CC(C)C(=O)NCCOCC(C)C(=O)OC
InChIInChI=1S/C16H24N2O5/c1-11(9-18-13(3)5-6-14(18)19)15(20)17-7-8-23-10-12(2)16(21)22-4/h5-6,11-12H,3,7-10H2,1-2,4H3,(H,17,20)
InChIKeyVUDPUKBFKJFTGP-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.48
Rot. Bonds9

About methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate

methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate (PubChem CID 157355378) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate
PubChem CID157355378
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Namemethyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate
SMILESC=C1C=CC(=O)N1CC(C)C(=O)NCCOCC(C)C(=O)OC
InChIInChI=1S/C16H24N2O5/c1-11(9-18-13(3)5-6-14(18)19)15(20)17-7-8-23-10-12(2)16(21)22-4/h5-6,11-12H,3,7-10H2,1-2,4H3,(H,17,20)
InChIKeyVUDPUKBFKJFTGP-UHFFFAOYSA-N
XLogP0.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-2-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide
CID 143960063
2-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 145373161
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 71244238
2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide
CID 166990918
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide
CID 91567791
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 135174898
(2S)-N-[2-[[2-[[2-(2-aminoprop-2-enylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]butanamide
CID 139456376
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide
CID 59378709
N-acetyl-N'-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2-(propanoylamino)butanediamide
CID 59481975

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate?
The IUPAC name of methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate (CID 157355378) is methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate?
The canonical SMILES for methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate is C=C1C=CC(=O)N1CC(C)C(=O)NCCOCC(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate?
The InChIKey is VUDPUKBFKJFTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-11(9-18-13(3)5-6-14(18)19)15(20)17-7-8-23-10-12(2)16(21)22-4/h5-6,11-12H,3,7-10H2,1-2,4H3,(H,17,20).
What are the key properties of methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate?
methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate has a molecular weight of 324.38 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-[[2-methyl-3-(2-methylidene-5-oxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate is sourced from PubChem (CID 157355378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).