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

C15H28N2O3 — CID 64711132

IUPACmethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
SMILESCOC(=O)C(C)(CC(C)N1CCOCC1C)NC1CC1
InChIInChI=1S/C15H28N2O3/c1-11(17-7-8-20-10-12(17)2)9-15(3,14(18)19-4)16-13-5-6-13/h11-13,16H,5-10H2,1-4H3
InChIKeyLCBAIOMOJFMPBX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.17
Rot. Bonds6

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

methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate (PubChem CID 64711132) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
PubChem CID64711132
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
SMILESCOC(=O)C(C)(CC(C)N1CCOCC1C)NC1CC1
InChIInChI=1S/C15H28N2O3/c1-11(17-7-8-20-10-12(17)2)9-15(3,14(18)19-4)16-13-5-6-13/h11-13,16H,5-10H2,1-4H3
InChIKeyLCBAIOMOJFMPBX-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
CID 64711913
2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64797261
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
CID 64709444
methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
CID 102966545
methyl 2-(cyclopropylamino)-2-methyl-6-(1,4-oxazepan-4-yl)hexanoate
CID 62973331
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanoate
CID 64706110
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate
CID 64711964
methyl 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(ethylamino)-2-methylpentanoate
CID 64711437
tert-butyl 2-bromo-2-[(3R)-3-methylmorpholin-4-yl]acetate
CID 155290587
methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate
CID 79623724
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969
3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 98799112

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate (CID 64711132) is methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate is COC(=O)C(C)(CC(C)N1CCOCC1C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate?
The InChIKey is LCBAIOMOJFMPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(17-7-8-20-10-12(17)2)9-15(3,14(18)19-4)16-13-5-6-13/h11-13,16H,5-10H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate?
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate has a molecular weight of 284.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate is sourced from PubChem (CID 64711132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).