methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate

C11H22N2O3 — CID 123425553

IUPACmethyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate
SMILESCOC(=O)CC1C(C)OCCN1NC(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)12-13-5-6-16-9(3)10(13)7-11(14)15-4/h8-10,12H,5-7H2,1-4H3
InChIKeyVPXRZGZEWAKKCA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.55
Rot. Bonds4

About methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate

methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate (PubChem CID 123425553) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate
PubChem CID123425553
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate
SMILESCOC(=O)CC1C(C)OCCN1NC(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)12-13-5-6-16-9(3)10(13)7-11(14)15-4/h8-10,12H,5-7H2,1-4H3
InChIKeyVPXRZGZEWAKKCA-UHFFFAOYSA-N
XLogP0.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(2-methylmorpholin-3-yl)acetate
CID 67409028
Methyl 2-[4-(dimethylamino)-2-methylmorpholin-3-yl]acetate
CID 123175869
Methyl 2-[2-methyl-4-(methylamino)morpholin-3-yl]acetate
CID 123814538
Methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate
CID 123940602
2-[2-Methyl-4-(methylamino)morpholin-3-yl]acetic acid
CID 123985697
Ethyl 3-(morpholin-4-ylamino)butanoate
CID 83020960
Methyl 3-(morpholin-4-ylamino)butanoate
CID 83021071
Ethyl 2-(morpholin-4-ylamino)pentanoate
CID 83041975
Pentan-2-yl 2-morpholin-3-ylacetate
CID 102982492

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate?
The IUPAC name of methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate (CID 123425553) is methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate?
The canonical SMILES for methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate is COC(=O)CC1C(C)OCCN1NC(C)C.
What is the InChIKey of methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate?
The InChIKey is VPXRZGZEWAKKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)12-13-5-6-16-9(3)10(13)7-11(14)15-4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate?
methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate is sourced from PubChem (CID 123425553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).