propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate

C10H19NO3 — CID 78947797

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

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

propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate (PubChem CID 78947797) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate
PubChem CID78947797
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepropan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate
SMILESCC(C)OC(=O)CN(C)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-8(2)14-10(12)6-11(3)9-4-5-13-7-9/h8-9H,4-7H2,1-3H3
InChIKeyFVSPBNLMQIJWJY-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 propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate?
The IUPAC name of propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate (CID 78947797) is propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate is CC(C)OC(=O)CN(C)C1CCOC1.
What is the InChIKey of propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate?
The InChIKey is FVSPBNLMQIJWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)14-10(12)6-11(3)9-4-5-13-7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate?
propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate 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 propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate is sourced from PubChem (CID 78947797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).