ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate

C15H28N2O3 — CID 63027402

IUPACethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
SMILESCCOC(=O)C(CCN1CC(C)OC(C)C1)NC1CC1
InChIInChI=1S/C15H28N2O3/c1-4-19-15(18)14(16-13-5-6-13)7-8-17-9-11(2)20-12(3)10-17/h11-14,16H,4-10H2,1-3H3
InChIKeyIKTQCQXTLUWLCR-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.17
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate

ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate (PubChem CID 63027402) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
PubChem CID63027402
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
SMILESCCOC(=O)C(CCN1CC(C)OC(C)C1)NC1CC1
InChIInChI=1S/C15H28N2O3/c1-4-19-15(18)14(16-13-5-6-13)7-8-17-9-11(2)20-12(3)10-17/h11-14,16H,4-10H2,1-3H3
InChIKeyIKTQCQXTLUWLCR-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate
CID 104960241
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
ethyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanoate
CID 115561433
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
CID 65282142
methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate
CID 63029546
ethyl 2-(cyclopropylamino)-4-(1,2,4-triazol-1-yl)butanoate
CID 63041057
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150
ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate
CID 25113400
ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate (CID 63027402) is ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate is CCOC(=O)C(CCN1CC(C)OC(C)C1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate?
The InChIKey is IKTQCQXTLUWLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-19-15(18)14(16-13-5-6-13)7-8-17-9-11(2)20-12(3)10-17/h11-14,16H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate?
ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate has a molecular weight of 284.40 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate is sourced from PubChem (CID 63027402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).