2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate

C10H19NO4 — CID 103178488

IUPAC2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate
SMILESCOCCCOCCOC(=O)C1(N)CC1
InChIInChI=1S/C10H19NO4/c1-13-5-2-6-14-7-8-15-9(12)10(11)3-4-10/h2-8,11H2,1H3
InChIKeyVVZHMTSULGLUNZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.07
Rot. Bonds8

About 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate

2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate (PubChem CID 103178488) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate
PubChem CID103178488
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate
SMILESCOCCCOCCOC(=O)C1(N)CC1
InChIInChI=1S/C10H19NO4/c1-13-5-2-6-14-7-8-15-9(12)10(11)3-4-10/h2-8,11H2,1H3
InChIKeyVVZHMTSULGLUNZ-UHFFFAOYSA-N
XLogP0.07
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 103403497
2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
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2-(3-methoxypropoxy)ethyl 1-(aminomethyl)cycloheptane-1-carboxylate
CID 103178541
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate
CID 104563373
5-(3-methoxypropoxy)pentanamide
CID 135179275
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
2-(3-methoxypropoxy)ethyl 2-sulfanylpropanoate
CID 107019121
1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide
CID 113463827

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate (CID 103178488) is 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate is COCCCOCCOC(=O)C1(N)CC1.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate?
The InChIKey is VVZHMTSULGLUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-13-5-2-6-14-7-8-15-9(12)10(11)3-4-10/h2-8,11H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate?
2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate is sourced from PubChem (CID 103178488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).