methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate

C14H24N2O5 — CID 78964014

IUPACmethyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)C(=O)CCNC(C)=O
InChIInChI=1S/C14H24N2O5/c1-11(17)15-7-5-13(18)16(8-6-14(19)20-2)10-12-4-3-9-21-12/h12H,3-10H2,1-2H3,(H,15,17)
InChIKeyAGQSDIJSHKLILZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.08
Rot. Bonds8

About methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 78964014) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID78964014
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Namemethyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)C(=O)CCNC(C)=O
InChIInChI=1S/C14H24N2O5/c1-11(17)15-7-5-13(18)16(8-6-14(19)20-2)10-12-4-3-9-21-12/h12H,3-10H2,1-2H3,(H,15,17)
InChIKeyAGQSDIJSHKLILZ-UHFFFAOYSA-N
XLogP0.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42286362
methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 78959559
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
CID 95627935
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 3-[oxolan-2-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate
CID 78964017
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303
methyl 3-[(2-methylpyrazole-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964016

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate (CID 78964014) is methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(CC1CCCO1)C(=O)CCNC(C)=O.
What is the InChIKey of methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is AGQSDIJSHKLILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-11(17)15-7-5-13(18)16(8-6-14(19)20-2)10-12-4-3-9-21-12/h12H,3-10H2,1-2H3,(H,15,17).
What are the key properties of methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 300.35 g/mol, XLogP of 0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 78964014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).