methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate

C10H19NO2 — CID 103244175

IUPACmethyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate
SMILESCCC(N/C=C/C(=O)OC)C(C)C
InChIInChI=1S/C10H19NO2/c1-5-9(8(2)3)11-7-6-10(12)13-4/h6-9,11H,5H2,1-4H3/b7-6+
InChIKeyIJVKCKHLGGAIHN-VOTSOKGWSA-N
MW185.27 g/mol
LogP1.70
Rot. Bonds5

About methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate

methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate (PubChem CID 103244175) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate
PubChem CID103244175
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate
SMILESCCC(N/C=C/C(=O)OC)C(C)C
InChIInChI=1S/C10H19NO2/c1-5-9(8(2)3)11-7-6-10(12)13-4/h6-9,11H,5H2,1-4H3/b7-6+
InChIKeyIJVKCKHLGGAIHN-VOTSOKGWSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate (CID 103244175) is methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate is CCC(N/C=C/C(=O)OC)C(C)C.
What is the InChIKey of methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate?
The InChIKey is IJVKCKHLGGAIHN-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(8(2)3)11-7-6-10(12)13-4/h6-9,11H,5H2,1-4H3/b7-6+.
What are the key properties of methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate?
methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate is sourced from PubChem (CID 103244175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).