methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate

C8H13NO5 — CID 10932550

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate
SMILESCOC(=O)CCNC(=O)CC(=O)OC
InChIInChI=1S/C8H13NO5/c1-13-7(11)3-4-9-6(10)5-8(12)14-2/h3-5H2,1-2H3,(H,9,10)
InChIKeyYMXLCHWGCXJOTL-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.77
Rot. Bonds5

About methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate

methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate (PubChem CID 10932550) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate
PubChem CID10932550
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate
SMILESCOC(=O)CCNC(=O)CC(=O)OC
InChIInChI=1S/C8H13NO5/c1-13-7(11)3-4-9-6(10)5-8(12)14-2/h3-5H2,1-2H3,(H,9,10)
InChIKeyYMXLCHWGCXJOTL-UHFFFAOYSA-N
XLogP-0.77
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate (CID 10932550) is methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate is COC(=O)CCNC(=O)CC(=O)OC.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate?
The InChIKey is YMXLCHWGCXJOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-13-7(11)3-4-9-6(10)5-8(12)14-2/h3-5H2,1-2H3,(H,9,10).
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate?
methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate has a molecular weight of 203.19 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropanoate is sourced from PubChem (CID 10932550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).