methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate

C11H19NO3 — CID 141368718

IUPACmethyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate
SMILESC/C=C/C(C)CC(=O)NCCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-5-9(2)8-10(13)12-7-6-11(14)15-3/h4-5,9H,6-8H2,1-3H3,(H,12,13)/b5-4+
InChIKeyNAZDOJXTKZMISQ-SNAWJCMRSA-N
MW213.28 g/mol
LogP1.27
Rot. Bonds6

About methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate

methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate (PubChem CID 141368718) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate
PubChem CID141368718
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate
SMILESC/C=C/C(C)CC(=O)NCCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-5-9(2)8-10(13)12-7-6-11(14)15-3/h4-5,9H,6-8H2,1-3H3,(H,12,13)/b5-4+
InChIKeyNAZDOJXTKZMISQ-SNAWJCMRSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612
methyl 3-(3-phenylbutanoylamino)propanoate
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methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
methyl 3-[(2-sulfanylacetyl)amino]propanoate
CID 87900240
methyl 3-(3-oxobutanoylamino)propanoate
CID 61249216
[(E,2S)-pent-3-en-2-yl] (E,3S)-3-methylhex-4-enoate
CID 10976411
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438
methyl 3-(6-aminohexanoylamino)propanoate
CID 61252126
methyl 3-(3-benzamidobutanoylamino)propanoate
CID 134049234

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate?
The IUPAC name of methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate (CID 141368718) is methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate is C/C=C/C(C)CC(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate?
The InChIKey is NAZDOJXTKZMISQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-9(2)8-10(13)12-7-6-11(14)15-3/h4-5,9H,6-8H2,1-3H3,(H,12,13)/b5-4+.
What are the key properties of methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate?
methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(E)-3-methylhex-4-enoyl]amino]propanoate is sourced from PubChem (CID 141368718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).