methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate

C12H23NO3 — CID 62386645

IUPACmethyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-10(12(14)15-3)8-13(2)9-11-4-6-16-7-5-11/h10-11H,4-9H2,1-3H3
InChIKeyMGHHWMRPDUQTHO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.15
Rot. Bonds5

About methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate

methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate (PubChem CID 62386645) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
PubChem CID62386645
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-10(12(14)15-3)8-13(2)9-11-4-6-16-7-5-11/h10-11H,4-9H2,1-3H3
InChIKeyMGHHWMRPDUQTHO-UHFFFAOYSA-N
XLogP1.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63711617
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
CID 63711106
2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 55227210
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
CID 63712860
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoate
CID 62861231
1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 63707559
methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
CID 63632179
3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 114228516
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate (CID 62386645) is methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate is COC(=O)C(C)CN(C)CC1CCOCC1.
What is the InChIKey of methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate?
The InChIKey is MGHHWMRPDUQTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(12(14)15-3)8-13(2)9-11-4-6-16-7-5-11/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate?
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate has a molecular weight of 229.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate is sourced from PubChem (CID 62386645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).