methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate

C10H19NO5 — CID 20576522

IUPACmethyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(O)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO5/c1-7(9(12)15-3)5-11(14)6-8(2)10(13)16-4/h7-8,14H,5-6H2,1-4H3
InChIKeyMUVPKUNGRFSTLR-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.30
Rot. Bonds6

About methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate

methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate (PubChem CID 20576522) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate
PubChem CID20576522
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(O)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO5/c1-7(9(12)15-3)5-11(14)6-8(2)10(13)16-4/h7-8,14H,5-6H2,1-4H3
InChIKeyMUVPKUNGRFSTLR-UHFFFAOYSA-N
XLogP0.30
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate (CID 20576522) is methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate is COC(=O)C(C)CN(O)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate?
The InChIKey is MUVPKUNGRFSTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-7(9(12)15-3)5-11(14)6-8(2)10(13)16-4/h7-8,14H,5-6H2,1-4H3.
What are the key properties of methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate?
methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate has a molecular weight of 233.26 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate is sourced from PubChem (CID 20576522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).