methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate

C13H24N2O4 — CID 54940231

IUPACmethyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-10(2)8-11(13(17)18-3)14-9-12(16)15-4-6-19-7-5-15/h10-11,14H,4-9H2,1-3H3
InChIKeyBRTRAIZBKDHCSI-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.02
Rot. Bonds6

About methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate

methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate (PubChem CID 54940231) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
PubChem CID54940231
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-10(2)8-11(13(17)18-3)14-9-12(16)15-4-6-19-7-5-15/h10-11,14H,4-9H2,1-3H3
InChIKeyBRTRAIZBKDHCSI-UHFFFAOYSA-N
XLogP0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
CID 103262996
2-(methoxyamino)-1-morpholin-4-ylethanone
CID 60702997
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-morpholin-4-ylethanone
CID 106159597
methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 99715442
2-(2-methylpropoxyamino)-1-morpholin-4-ylethanone
CID 82715515
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
CID 5027932
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]but-3-enoate
CID 114242559
2-[[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]methyl]prop-2-enoic acid
CID 103245766

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate (CID 54940231) is methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate is COC(=O)C(CC(C)C)NCC(=O)N1CCOCC1.
What is the InChIKey of methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate?
The InChIKey is BRTRAIZBKDHCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)8-11(13(17)18-3)14-9-12(16)15-4-6-19-7-5-15/h10-11,14H,4-9H2,1-3H3.
What are the key properties of methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate?
methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate has a molecular weight of 272.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate is sourced from PubChem (CID 54940231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).