methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate

C14H25NO5 — CID 78959559

IUPACmethyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CCC1CCCO1
InChIInChI=1S/C14H25NO5/c1-18-11-9-15(8-7-14(17)19-2)13(16)6-5-12-4-3-10-20-12/h12H,3-11H2,1-2H3
InChIKeyTZVFWNISAHTTDD-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.98
Rot. Bonds9

About methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate

methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate (PubChem CID 78959559) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
PubChem CID78959559
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Namemethyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CCC1CCCO1
InChIInChI=1S/C14H25NO5/c1-18-11-9-15(8-7-14(17)19-2)13(16)6-5-12-4-3-10-20-12/h12H,3-11H2,1-2H3
InChIKeyTZVFWNISAHTTDD-UHFFFAOYSA-N
XLogP0.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 54979906
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964014
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119189387
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
N-(2-aminoethyl)-N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 113468413
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585
methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964716
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
CID 95627935
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate (CID 78959559) is methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate is COCCN(CCC(=O)OC)C(=O)CCC1CCCO1.
What is the InChIKey of methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate?
The InChIKey is TZVFWNISAHTTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-18-11-9-15(8-7-14(17)19-2)13(16)6-5-12-4-3-10-20-12/h12H,3-11H2,1-2H3.
What are the key properties of methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate?
methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate has a molecular weight of 287.36 g/mol, XLogP of 0.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate is sourced from PubChem (CID 78959559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).