methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate

C16H32N2O3 — CID 60693583

IUPACmethyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C16H32N2O3/c1-12(2)8-15(16(19)20-5)17-9-14-11-18(6-7-21-14)10-13(3)4/h12-15,17H,6-11H2,1-5H3
InChIKeyIVIHXVKLMGOGGF-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.52
Rot. Bonds8

About methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate

methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate (PubChem CID 60693583) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
PubChem CID60693583
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Namemethyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C16H32N2O3/c1-12(2)8-15(16(19)20-5)17-9-14-11-18(6-7-21-14)10-13(3)4/h12-15,17H,6-11H2,1-5H3
InChIKeyIVIHXVKLMGOGGF-UHFFFAOYSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate with MolForge

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Related Compounds

methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
CID 113235641
methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate
CID 65442042
ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate
CID 60687522
2-amino-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120797192
(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
CID 104875585
methyl 1-[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253671
methyl 3-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111368840
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 35361579

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate (CID 60693583) is methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate is COC(=O)C(CC(C)C)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate?
The InChIKey is IVIHXVKLMGOGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(2)8-15(16(19)20-5)17-9-14-11-18(6-7-21-14)10-13(3)4/h12-15,17H,6-11H2,1-5H3.
What are the key properties of methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate?
methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate has a molecular weight of 300.44 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate is sourced from PubChem (CID 60693583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).