methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate

C12H25NO3 — CID 104646437

IUPACmethyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate
SMILESCOC(=O)C(C)CC(C)NCC(C)(C)OC
InChIInChI=1S/C12H25NO3/c1-9(11(14)15-5)7-10(2)13-8-12(3,4)16-6/h9-10,13H,7-8H2,1-6H3
InChIKeyGGFQUOHWUYVMOL-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.59
Rot. Bonds7

About methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate

methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate (PubChem CID 104646437) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate
PubChem CID104646437
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Namemethyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate
SMILESCOC(=O)C(C)CC(C)NCC(C)(C)OC
InChIInChI=1S/C12H25NO3/c1-9(11(14)15-5)7-10(2)13-8-12(3,4)16-6/h9-10,13H,7-8H2,1-6H3
InChIKeyGGFQUOHWUYVMOL-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxy-2-methylpropyl)amino]-N-methylbutanamide
CID 115728614
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid
CID 104759577
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
N-carbamoyl-2-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 115664044
methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate
CID 104646630
methyl 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134
methyl 2-methyl-4-[[(E)-pent-3-enyl]amino]pentanoate
CID 104646363
N-butan-2-yl-2-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 115664072
methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate
CID 104646176

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate (CID 104646437) is methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate is COC(=O)C(C)CC(C)NCC(C)(C)OC.
What is the InChIKey of methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate?
The InChIKey is GGFQUOHWUYVMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(11(14)15-5)7-10(2)13-8-12(3,4)16-6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate?
methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate has a molecular weight of 231.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate is sourced from PubChem (CID 104646437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).