ethyl 2-(4-amino-2-propyloxan-4-yl)acetate

C12H23NO3 — CID 79848209

IUPACethyl 2-(4-amino-2-propyloxan-4-yl)acetate
SMILESCCCC1CC(N)(CC(=O)OCC)CCO1
InChIInChI=1S/C12H23NO3/c1-3-5-10-8-12(13,6-7-16-10)9-11(14)15-4-2/h10H,3-9,13H2,1-2H3
InChIKeyOGVSJJGTGLSMBK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.62
Rot. Bonds5

About ethyl 2-(4-amino-2-propyloxan-4-yl)acetate

ethyl 2-(4-amino-2-propyloxan-4-yl)acetate (PubChem CID 79848209) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-propyloxan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-propyloxan-4-yl)acetate
PubChem CID79848209
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-(4-amino-2-propyloxan-4-yl)acetate
SMILESCCCC1CC(N)(CC(=O)OCC)CCO1
InChIInChI=1S/C12H23NO3/c1-3-5-10-8-12(13,6-7-16-10)9-11(14)15-4-2/h10H,3-9,13H2,1-2H3
InChIKeyOGVSJJGTGLSMBK-UHFFFAOYSA-N
XLogP1.62
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-(1-amino-4-propylcyclohexyl)acetate
CID 79848370
ethyl 2-(4,4-dimethyloxan-2-yl)acetate
CID 10375536
2-[4-(methylamino)-2-propyloxan-4-yl]acetamide
CID 65236924
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
ethyl 2-(5,5-dimethyloxepan-2-yl)acetate
CID 134975696
2-[4-(dimethylamino)-2-propyloxan-4-yl]acetic acid
CID 64526984
ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate
CID 134907720
ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
CID 80699029
4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid
CID 103377627
3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid
CID 66322763
2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol
CID 103376940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-propyloxan-4-yl)acetate?
The IUPAC name of ethyl 2-(4-amino-2-propyloxan-4-yl)acetate (CID 79848209) is ethyl 2-(4-amino-2-propyloxan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-2-propyloxan-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-amino-2-propyloxan-4-yl)acetate is CCCC1CC(N)(CC(=O)OCC)CCO1.
What is the InChIKey of ethyl 2-(4-amino-2-propyloxan-4-yl)acetate?
The InChIKey is OGVSJJGTGLSMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-5-10-8-12(13,6-7-16-10)9-11(14)15-4-2/h10H,3-9,13H2,1-2H3.
What are the key properties of ethyl 2-(4-amino-2-propyloxan-4-yl)acetate?
ethyl 2-(4-amino-2-propyloxan-4-yl)acetate has a molecular weight of 229.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-propyloxan-4-yl)acetate is sourced from PubChem (CID 79848209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).