methyl 2-[3-(ethylamino)oxolan-3-yl]acetate

C9H17NO3 — CID 65235017

IUPACmethyl 2-[3-(ethylamino)oxolan-3-yl]acetate
SMILESCCNC1(CC(=O)OC)CCOC1
InChIInChI=1S/C9H17NO3/c1-3-10-9(4-5-13-7-9)6-8(11)12-2/h10H,3-7H2,1-2H3
InChIKeyVRVMECHRIBJHPD-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds4

About methyl 2-[3-(ethylamino)oxolan-3-yl]acetate

methyl 2-[3-(ethylamino)oxolan-3-yl]acetate (PubChem CID 65235017) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[3-(ethylamino)oxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(ethylamino)oxolan-3-yl]acetate
PubChem CID65235017
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[3-(ethylamino)oxolan-3-yl]acetate
SMILESCCNC1(CC(=O)OC)CCOC1
InChIInChI=1S/C9H17NO3/c1-3-10-9(4-5-13-7-9)6-8(11)12-2/h10H,3-7H2,1-2H3
InChIKeyVRVMECHRIBJHPD-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(ethylamino)oxolan-3-yl]acetate?
The IUPAC name of methyl 2-[3-(ethylamino)oxolan-3-yl]acetate (CID 65235017) is methyl 2-[3-(ethylamino)oxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[3-(ethylamino)oxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[3-(ethylamino)oxolan-3-yl]acetate is CCNC1(CC(=O)OC)CCOC1.
What is the InChIKey of methyl 2-[3-(ethylamino)oxolan-3-yl]acetate?
The InChIKey is VRVMECHRIBJHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-10-9(4-5-13-7-9)6-8(11)12-2/h10H,3-7H2,1-2H3.
What are the key properties of methyl 2-[3-(ethylamino)oxolan-3-yl]acetate?
methyl 2-[3-(ethylamino)oxolan-3-yl]acetate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(ethylamino)oxolan-3-yl]acetate is sourced from PubChem (CID 65235017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).