2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid

C16H27NO6 — CID 146471463

IUPAC2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid
SMILESC=CCCC(=O)N(C)C(COCCOC1CCCCO1)C(=O)O
InChIInChI=1S/C16H27NO6/c1-3-4-7-14(18)17(2)13(16(19)20)12-21-10-11-23-15-8-5-6-9-22-15/h3,13,15H,1,4-12H2,2H3,(H,19,20)
InChIKeyWZROGLVBUOHZCP-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.42
Rot. Bonds11

About 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid

2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid (PubChem CID 146471463) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid
PubChem CID146471463
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid
SMILESC=CCCC(=O)N(C)C(COCCOC1CCCCO1)C(=O)O
InChIInChI=1S/C16H27NO6/c1-3-4-7-14(18)17(2)13(16(19)20)12-21-10-11-23-15-8-5-6-9-22-15/h3,13,15H,1,4-12H2,2H3,(H,19,20)
InChIKeyWZROGLVBUOHZCP-UHFFFAOYSA-N
XLogP1.42
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)propoxy]propanoic acid
CID 146471479
cyanomethyl (2S)-3-[2-(oxan-2-yloxy)ethoxy]-2-(pent-4-enoylamino)propanoate
CID 142490678
(2S)-2-pent-4-enoxyoxane
CID 58779863
(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid
CID 139578710
2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
CID 177262162
5-(oxan-2-yloxy)pent-1-en-3-ol
CID 15194608
bis[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl] 2,2-dimethylpropanedioate
CID 54155676
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid
CID 61369660
4-[2-(oxan-2-yloxy)ethoxy]-3-sulfanylidenebutan-2-one
CID 57072264

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid?
The IUPAC name of 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid (CID 146471463) is 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid.
What is the SMILES notation for 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid?
The canonical SMILES for 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid is C=CCCC(=O)N(C)C(COCCOC1CCCCO1)C(=O)O.
What is the InChIKey of 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid?
The InChIKey is WZROGLVBUOHZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO6/c1-3-4-7-14(18)17(2)13(16(19)20)12-21-10-11-23-15-8-5-6-9-22-15/h3,13,15H,1,4-12H2,2H3,(H,19,20).
What are the key properties of 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid?
2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid has a molecular weight of 329.39 g/mol, XLogP of 1.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pent-4-enoyl)amino]-3-[2-(oxan-2-yloxy)ethoxy]propanoic acid is sourced from PubChem (CID 146471463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).