methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate

C12H24N2O3 — CID 64711913

IUPACmethyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)N1CCOCC1C
InChIInChI=1S/C12H24N2O3/c1-9(7-12(3,13)11(15)16-4)14-5-6-17-8-10(14)2/h9-10H,5-8,13H2,1-4H3
InChIKeyMEARSSFIDCYQHH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.38
Rot. Bonds4

About methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate

methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate (PubChem CID 64711913) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
PubChem CID64711913
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)N1CCOCC1C
InChIInChI=1S/C12H24N2O3/c1-9(7-12(3,13)11(15)16-4)14-5-6-17-8-10(14)2/h9-10H,5-8,13H2,1-4H3
InChIKeyMEARSSFIDCYQHH-UHFFFAOYSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
CID 64711132
2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64797261
methyl 2-amino-2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoate
CID 79946066
methyl 2-amino-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanoate
CID 79918028
tert-butyl 2-bromo-2-[(3R)-3-methylmorpholin-4-yl]acetate
CID 155290587
(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087
methyl 2-amino-4-(4-tert-butylpiperazin-1-yl)-2-methylpentanoate
CID 64709909
methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate
CID 79623724
methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate
CID 64712123
2-amino-4-(3-ethylmorpholin-4-yl)-2-methylpentan-1-ol
CID 64798575
3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 98799112
methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate
CID 64708577

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate (CID 64711913) is methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate is COC(=O)C(C)(N)CC(C)N1CCOCC1C.
What is the InChIKey of methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate?
The InChIKey is MEARSSFIDCYQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(7-12(3,13)11(15)16-4)14-5-6-17-8-10(14)2/h9-10H,5-8,13H2,1-4H3.
What are the key properties of methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate?
methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate has a molecular weight of 244.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate is sourced from PubChem (CID 64711913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).