methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate

C10H17NO4 — CID 154109072

IUPACmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate
SMILESCOC(=O)C=C(N)C1(OC)CCOCC1
InChIInChI=1S/C10H17NO4/c1-13-9(12)7-8(11)10(14-2)3-5-15-6-4-10/h7H,3-6,11H2,1-2H3
InChIKeyFEEUDHQYEHCCSV-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.20
Rot. Bonds3

About methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate

methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate (PubChem CID 154109072) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate
PubChem CID154109072
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate
SMILESCOC(=O)C=C(N)C1(OC)CCOCC1
InChIInChI=1S/C10H17NO4/c1-13-9(12)7-8(11)10(14-2)3-5-15-6-4-10/h7H,3-6,11H2,1-2H3
InChIKeyFEEUDHQYEHCCSV-UHFFFAOYSA-N
XLogP0.20
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
4-methoxy-N'-methyloxane-4-carboximidamide
CID 116779939
(4-methyloxan-4-yl) carbamate
CID 141404618
methyl (Z)-3,4-diamino-4-oxobut-2-enoate
CID 15312014
1-(4-methoxyoxan-4-yl)pent-4-en-1-one
CID 116748516
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
1-(4-ethoxyoxan-4-yl)-3-methylbut-2-en-1-one
CID 116748886
1-(4-methoxyoxan-4-yl)-4,4-dimethylpentan-1-one
CID 116748551
1-(4-methoxyoxan-4-yl)pent-3-yn-1-one
CID 116748548
3-methoxy-N-propan-2-yloxolane-3-carboxamide
CID 127002234
4-methoxy-N'-propyloxane-4-carboximidamide
CID 116779981
1-(4-methoxyoxan-4-yl)hexan-1-one
CID 116748600

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate?
The IUPAC name of methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate (CID 154109072) is methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate?
The canonical SMILES for methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate is COC(=O)C=C(N)C1(OC)CCOCC1.
What is the InChIKey of methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate?
The InChIKey is FEEUDHQYEHCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-13-9(12)7-8(11)10(14-2)3-5-15-6-4-10/h7H,3-6,11H2,1-2H3.
What are the key properties of methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate?
methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate is sourced from PubChem (CID 154109072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).