methyl 3-[methyl(oxolan-3-yl)amino]butanoate

C10H19NO3 — CID 82739392

IUPACmethyl 3-[methyl(oxolan-3-yl)amino]butanoate
SMILESCOC(=O)CC(C)N(C)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-8(6-10(12)13-3)11(2)9-4-5-14-7-9/h8-9H,4-7H2,1-3H3
InChIKeyGPERMTTWLLHULV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds4

About methyl 3-[methyl(oxolan-3-yl)amino]butanoate

methyl 3-[methyl(oxolan-3-yl)amino]butanoate (PubChem CID 82739392) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-[methyl(oxolan-3-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(oxolan-3-yl)amino]butanoate
PubChem CID82739392
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-[methyl(oxolan-3-yl)amino]butanoate
SMILESCOC(=O)CC(C)N(C)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-8(6-10(12)13-3)11(2)9-4-5-14-7-9/h8-9H,4-7H2,1-3H3
InChIKeyGPERMTTWLLHULV-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(oxolan-3-yl)amino]butanoate?
The IUPAC name of methyl 3-[methyl(oxolan-3-yl)amino]butanoate (CID 82739392) is methyl 3-[methyl(oxolan-3-yl)amino]butanoate.
What is the SMILES notation for methyl 3-[methyl(oxolan-3-yl)amino]butanoate?
The canonical SMILES for methyl 3-[methyl(oxolan-3-yl)amino]butanoate is COC(=O)CC(C)N(C)C1CCOC1.
What is the InChIKey of methyl 3-[methyl(oxolan-3-yl)amino]butanoate?
The InChIKey is GPERMTTWLLHULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(6-10(12)13-3)11(2)9-4-5-14-7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 3-[methyl(oxolan-3-yl)amino]butanoate?
methyl 3-[methyl(oxolan-3-yl)amino]butanoate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(oxolan-3-yl)amino]butanoate is sourced from PubChem (CID 82739392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).