ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate

C10H17NO3 — CID 62535315

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

About ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate

ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate (PubChem CID 62535315) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate
PubChem CID62535315
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate
SMILESC#CCNC(C)(COC)C(=O)OCC
InChIInChI=1S/C10H17NO3/c1-5-7-11-10(3,8-13-4)9(12)14-6-2/h1,11H,6-8H2,2-4H3
InChIKeyNZXNNDLBZHETPV-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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Related Compounds

ethyl 2,3-dimethyl-2-(prop-2-ynylamino)butanoate
CID 62487244
ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
CID 62534926
methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate
CID 62366335
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
CID 63323924
ethyl 2-(methoxymethyl)-2-methyl-3-oxobutanoate
CID 6420389
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
ethyl 2-[4-(dimethylamino)phenyl]-2-(prop-2-ynylamino)propanoate
CID 62365825
ethyl 2-(4-methylsulfanylphenyl)-2-(prop-2-ynylamino)propanoate
CID 62367214
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
methyl 3,3,3-trifluoro-2-methyl-2-(prop-2-ynylamino)propanoate
CID 106523367

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate?
The IUPAC name of ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate (CID 62535315) is ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate.
What is the SMILES notation for ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate?
The canonical SMILES for ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate is C#CCNC(C)(COC)C(=O)OCC.
What is the InChIKey of ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate?
The InChIKey is NZXNNDLBZHETPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-7-11-10(3,8-13-4)9(12)14-6-2/h1,11H,6-8H2,2-4H3.
What are the key properties of ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate?
ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate 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 ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate is sourced from PubChem (CID 62535315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).