methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate

C10H17NO3 — CID 62366335

IUPACmethyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate
SMILESC#CCNC(C)(CCOC)C(=O)OC
InChIInChI=1S/C10H17NO3/c1-5-7-11-10(2,6-8-13-3)9(12)14-4/h1,11H,6-8H2,2-4H3
InChIKeyQFAOEHBPGHNQBR-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.18
Rot. Bonds6

About methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate

methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate (PubChem CID 62366335) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate
PubChem CID62366335
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate
SMILESC#CCNC(C)(CCOC)C(=O)OC
InChIInChI=1S/C10H17NO3/c1-5-7-11-10(2,6-8-13-3)9(12)14-4/h1,11H,6-8H2,2-4H3
InChIKeyQFAOEHBPGHNQBR-UHFFFAOYSA-N
XLogP0.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate?
The IUPAC name of methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate (CID 62366335) is methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate.
What is the SMILES notation for methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate?
The canonical SMILES for methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate is C#CCNC(C)(CCOC)C(=O)OC.
What is the InChIKey of methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate?
The InChIKey is QFAOEHBPGHNQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-7-11-10(2,6-8-13-3)9(12)14-4/h1,11H,6-8H2,2-4H3.
What are the key properties of methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate?
methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate has a molecular weight of 199.25 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate is sourced from PubChem (CID 62366335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).