ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate

C13H26N2O3 — CID 63053944

IUPACethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCOCC1(C)C)NC
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)11(14-4)6-7-15-8-9-17-10-13(15,2)3/h11,14H,5-10H2,1-4H3
InChIKeyCDRVIROSANDCTD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.64
Rot. Bonds6

About ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate

ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate (PubChem CID 63053944) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate
PubChem CID63053944
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCOCC1(C)C)NC
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)11(14-4)6-7-15-8-9-17-10-13(15,2)3/h11,14H,5-10H2,1-4H3
InChIKeyCDRVIROSANDCTD-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,3-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanamide
CID 63054478
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63159042
ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 63171014
methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate
CID 61433080
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119876458
(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 119876449
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butanoate
CID 63054388
ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
CID 55216982
ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate
CID 63054333
ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
ethyl 2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 63054024

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate (CID 63053944) is ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate is CCOC(=O)C(CCN1CCOCC1(C)C)NC.
What is the InChIKey of ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate?
The InChIKey is CDRVIROSANDCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-18-12(16)11(14-4)6-7-15-8-9-17-10-13(15,2)3/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate?
ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate has a molecular weight of 258.36 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate is sourced from PubChem (CID 63053944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).