methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate

C13H25NO5 — CID 103404790

IUPACmethyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
SMILESCOCCOCCCOCC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C13H25NO5/c1-16-8-9-18-6-3-7-19-10-13(14,11-4-5-11)12(15)17-2/h11H,3-10,14H2,1-2H3
InChIKeyUURHCOZCYRCTGT-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.34
Rot. Bonds11

About methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate

methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate (PubChem CID 103404790) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
PubChem CID103404790
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
SMILESCOCCOCCCOCC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C13H25NO5/c1-16-8-9-18-6-3-7-19-10-13(14,11-4-5-11)12(15)17-2/h11H,3-10,14H2,1-2H3
InChIKeyUURHCOZCYRCTGT-UHFFFAOYSA-N
XLogP0.34
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
CID 103400749
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate
CID 114342105
ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
CID 63921710
ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate
CID 63921508
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
2-amino-2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 112589049
methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate
CID 64730240
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]propanoic acid
CID 103404934
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate (CID 103404790) is methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate is COCCOCCCOCC(N)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate?
The InChIKey is UURHCOZCYRCTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-16-8-9-18-6-3-7-19-10-13(14,11-4-5-11)12(15)17-2/h11H,3-10,14H2,1-2H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate?
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate has a molecular weight of 275.34 g/mol, XLogP of 0.34, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate is sourced from PubChem (CID 103404790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).