2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate

C12H23NO4 — CID 103178767

IUPAC2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate
SMILESCOCCCOCCOC(=O)CC(N)C1CC1
InChIInChI=1S/C12H23NO4/c1-15-5-2-6-16-7-8-17-12(14)9-11(13)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyKLBUMCCNLBRVDC-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.71
Rot. Bonds10

About 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate

2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate (PubChem CID 103178767) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate
PubChem CID103178767
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate
SMILESCOCCCOCCOC(=O)CC(N)C1CC1
InChIInChI=1S/C12H23NO4/c1-15-5-2-6-16-7-8-17-12(14)9-11(13)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyKLBUMCCNLBRVDC-UHFFFAOYSA-N
XLogP0.71
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.71
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

methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746
methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate
CID 103176640
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
2-(3-methoxypropoxy)ethyl 2-sulfanylpropanoate
CID 107019121
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
2-(3-methoxypropoxy)ethyl 6-aminohexanoate
CID 103178476
2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate
CID 103178763
3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate
CID 103403540
bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate
CID 101278877
2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
CID 103181539
ethoxycarbonyl 3-amino-3-cyclopropylpropanoate
CID 174865263

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate (CID 103178767) is 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate is COCCCOCCOC(=O)CC(N)C1CC1.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate?
The InChIKey is KLBUMCCNLBRVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-15-5-2-6-16-7-8-17-12(14)9-11(13)10-3-4-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate?
2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate has a molecular weight of 245.32 g/mol, XLogP of 0.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate is sourced from PubChem (CID 103178767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).