ethyl 2-[methyl(oxan-4-yl)amino]acetate

C10H19NO3 — CID 43611424

IUPACethyl 2-[methyl(oxan-4-yl)amino]acetate
SMILESCCOC(=O)CN(C)C1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-14-10(12)8-11(2)9-4-6-13-7-5-9/h9H,3-8H2,1-2H3
InChIKeyNHLJFBDCLPNMNF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds4

About ethyl 2-[methyl(oxan-4-yl)amino]acetate

ethyl 2-[methyl(oxan-4-yl)amino]acetate (PubChem CID 43611424) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-[methyl(oxan-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(oxan-4-yl)amino]acetate
PubChem CID43611424
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-[methyl(oxan-4-yl)amino]acetate
SMILESCCOC(=O)CN(C)C1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-14-10(12)8-11(2)9-4-6-13-7-5-9/h9H,3-8H2,1-2H3
InChIKeyNHLJFBDCLPNMNF-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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Related Compounds

ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
CID 79121417
2-ethoxy-N-methyl-N-(oxan-4-yl)acetamide
CID 64591717
ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate
CID 62047555
ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate
CID 55208525
propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate
CID 78947797
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711538
ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79909780
ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate
CID 62027799
N-(3-aminopropyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82731736
ethyl 2-[ethyl(oxan-3-yl)amino]acetate
CID 103892716
butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
CID 54940545

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(oxan-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(oxan-4-yl)amino]acetate (CID 43611424) is ethyl 2-[methyl(oxan-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(oxan-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(oxan-4-yl)amino]acetate is CCOC(=O)CN(C)C1CCOCC1.
What is the InChIKey of ethyl 2-[methyl(oxan-4-yl)amino]acetate?
The InChIKey is NHLJFBDCLPNMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-14-10(12)8-11(2)9-4-6-13-7-5-9/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[methyl(oxan-4-yl)amino]acetate?
ethyl 2-[methyl(oxan-4-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 ethyl 2-[methyl(oxan-4-yl)amino]acetate is sourced from PubChem (CID 43611424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).