ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate

C14H28N2O3 — CID 64711362

IUPACethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)N1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O3/c1-6-18-12(17)14(5,15)9-11(2)16-7-8-19-13(3,4)10-16/h11H,6-10,15H2,1-5H3
InChIKeyWVNRUXRFTLFWSP-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate

ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate (PubChem CID 64711362) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate
PubChem CID64711362
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)N1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O3/c1-6-18-12(17)14(5,15)9-11(2)16-7-8-19-13(3,4)10-16/h11H,6-10,15H2,1-5H3
InChIKeyWVNRUXRFTLFWSP-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 64702655
4-(2,2-dimethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710389
ethyl 2-(2,2-dimethylmorpholin-4-yl)butanoate
CID 64661671
ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate
CID 64711971
ethyl 2-amino-2-cyclopropyl-3-(2,2-dimethylmorpholin-4-yl)propanoate
CID 63911116
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate
CID 64703969
4-(2,2-dimethylmorpholin-4-yl)pentan-1-amine
CID 62433132
2-(2,2-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine
CID 62433108
ethyl 4-(2,2-dimethylmorpholin-4-yl)-3-oxobutanoate
CID 63898681
methyl 2-amino-4-(4-tert-butylpiperazin-1-yl)-2-methylpentanoate
CID 64709909
3-(2,2-dimethylmorpholin-4-yl)-N-propylbutan-1-amine
CID 62433671
tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate
CID 102729629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate (CID 64711362) is ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate is CCOC(=O)C(C)(N)CC(C)N1CCOC(C)(C)C1.
What is the InChIKey of ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate?
The InChIKey is WVNRUXRFTLFWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-18-12(17)14(5,15)9-11(2)16-7-8-19-13(3,4)10-16/h11H,6-10,15H2,1-5H3.
What are the key properties of ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate?
ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate has a molecular weight of 272.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate is sourced from PubChem (CID 64711362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).