methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate

C12H23NO3 — CID 117242468

IUPACmethyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate
SMILESCOC(=O)C(CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-12(2,3)10(11(14)15-4)9-13-5-7-16-8-6-13/h10H,5-9H2,1-4H3
InChIKeyGMBNEPBBJXNHHN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.15
Rot. Bonds3

About methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate

methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate (PubChem CID 117242468) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate.

Molecular Properties

Compound Namemethyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate
PubChem CID117242468
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate
SMILESCOC(=O)C(CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-12(2,3)10(11(14)15-4)9-13-5-7-16-8-6-13/h10H,5-9H2,1-4H3
InChIKeyGMBNEPBBJXNHHN-UHFFFAOYSA-N
XLogP1.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(morpholin-4-ylmethyl)butanoate
CID 117242059
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
methyl 2-(1,1-dioxothian-4-yl)-3-morpholin-4-ylpropanoate
CID 117239606
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
CID 121437761
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
methyl 2-morpholin-4-ylacetate
CID 1268178
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
methyl (2S)-2-(chloroamino)-4-morpholin-4-ylbutanoate
CID 59414204

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate?
The IUPAC name of methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate (CID 117242468) is methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate.
What is the SMILES notation for methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate?
The canonical SMILES for methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate is COC(=O)C(CN1CCOCC1)C(C)(C)C.
What is the InChIKey of methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate?
The InChIKey is GMBNEPBBJXNHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)10(11(14)15-4)9-13-5-7-16-8-6-13/h10H,5-9H2,1-4H3.
What are the key properties of methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate?
methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate is sourced from PubChem (CID 117242468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).