methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate

C15H28N2O4 — CID 79827498

IUPACmethyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(C)C(=O)NCCC(C)C)CCO1
InChIInChI=1S/C15H28N2O4/c1-11(2)5-6-16-15(19)12(3)17-7-8-21-13(10-17)9-14(18)20-4/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeyAKPULMSJFCJVPC-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.80
Rot. Bonds7

About methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate

methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate (PubChem CID 79827498) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
PubChem CID79827498
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(C)C(=O)NCCC(C)C)CCO1
InChIInChI=1S/C15H28N2O4/c1-11(2)5-6-16-15(19)12(3)17-7-8-21-13(10-17)9-14(18)20-4/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeyAKPULMSJFCJVPC-UHFFFAOYSA-N
XLogP0.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[1-(methylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79822708
methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79827501
methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate
CID 79823412
methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 98773575
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
CID 78963745
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[2-(aminomethyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 61338185
methyl 3-(2-ethylmorpholin-4-yl)butanoate
CID 43562857

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate (CID 79827498) is methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate is COC(=O)CC1CN(C(C)C(=O)NCCC(C)C)CCO1.
What is the InChIKey of methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
The InChIKey is AKPULMSJFCJVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)5-6-16-15(19)12(3)17-7-8-21-13(10-17)9-14(18)20-4/h11-13H,5-10H2,1-4H3,(H,16,19).
What are the key properties of methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate has a molecular weight of 300.40 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate is sourced from PubChem (CID 79827498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).