methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate

C11H19NO3 — CID 103261145

IUPACmethyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCOC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-11(2)8-9(5-7-15-11)12-6-4-10(13)14-3/h4,6,9,12H,5,7-8H2,1-3H3/b6-4+
InChIKeyOMFFOFOKNVSLKC-GQCTYLIASA-N
MW213.28 g/mol
LogP1.22
Rot. Bonds3

About methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate

methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate (PubChem CID 103261145) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate
PubChem CID103261145
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCOC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-11(2)8-9(5-7-15-11)12-6-4-10(13)14-3/h4,6,9,12H,5,7-8H2,1-3H3/b6-4+
InChIKeyOMFFOFOKNVSLKC-GQCTYLIASA-N
XLogP1.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[(1,1-dioxothian-4-yl)amino]prop-2-enoate
CID 103239273
methyl 3-[(2,2-dimethyloxan-4-yl)amino]butanoate
CID 83032645
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
CID 83033010
3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine
CID 130574119
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 83032655
2-[(2,2-dimethyloxan-4-yl)amino]-N-ethyl-N-methylacetamide
CID 83033158
N-(cyanomethyl)-N'-(2,2-dimethyloxan-4-yl)oxamide
CID 83028549
methyl 4-[[(3R)-oxolan-3-yl]amino]but-2-enoate
CID 123363006
methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate
CID 130491766
methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate
CID 107853787
2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 83032817

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate (CID 103261145) is methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate is COC(=O)/C=C/NC1CCOC(C)(C)C1.
What is the InChIKey of methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate?
The InChIKey is OMFFOFOKNVSLKC-GQCTYLIASA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)8-9(5-7-15-11)12-6-4-10(13)14-3/h4,6,9,12H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate?
methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate is sourced from PubChem (CID 103261145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).