methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate

C10H19NO2 — CID 102391982

IUPACmethyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate
SMILESC=C(CNC(C)(C)CC)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-6-10(3,4)11-7-8(2)9(12)13-5/h11H,2,6-7H2,1,3-5H3
InChIKeyPIAPUTJFDMRWDD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate

methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate (PubChem CID 102391982) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate
PubChem CID102391982
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate
SMILESC=C(CNC(C)(C)CC)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-6-10(3,4)11-7-8(2)9(12)13-5/h11H,2,6-7H2,1,3-5H3
InChIKeyPIAPUTJFDMRWDD-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate (CID 102391982) is methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate is C=C(CNC(C)(C)CC)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate?
The InChIKey is PIAPUTJFDMRWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-10(3,4)11-7-8(2)9(12)13-5/h11H,2,6-7H2,1,3-5H3.
What are the key properties of methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate?
methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylbutan-2-ylamino)methyl]prop-2-enoate is sourced from PubChem (CID 102391982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).