(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate

C12H25NO3 — CID 106665977

IUPAC(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate
SMILESCCC(C)(CN)C(=O)OCCC(C)(C)OC
InChIInChI=1S/C12H25NO3/c1-6-12(4,9-13)10(14)16-8-7-11(2,3)15-5/h6-9,13H2,1-5H3
InChIKeySGABBLRCKQNBBJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.72
Rot. Bonds7

About (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate

(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate (PubChem CID 106665977) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate
PubChem CID106665977
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate
SMILESCCC(C)(CN)C(=O)OCCC(C)(C)OC
InChIInChI=1S/C12H25NO3/c1-6-12(4,9-13)10(14)16-8-7-11(2,3)15-5/h6-9,13H2,1-5H3
InChIKeySGABBLRCKQNBBJ-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
CID 124571858
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
[3-[2-[3-(2-ethyl-2-methylbutanoyl)oxy-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methylpropanoyl]oxyethoxy]-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methyl-3-oxopropyl] 2-ethyl-2-methylbutanoate
CID 58085190
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034
(3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate
CID 106665941
(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
CID 106666081
carboxyoxy (3-methoxy-3-methylbutyl) carbonate
CID 87697093
(3-methoxy-3-methylbutyl) but-2-enoate
CID 161484062

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate?
The IUPAC name of (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate (CID 106665977) is (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate is CCC(C)(CN)C(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate?
The InChIKey is SGABBLRCKQNBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-12(4,9-13)10(14)16-8-7-11(2,3)15-5/h6-9,13H2,1-5H3.
What are the key properties of (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate?
(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate has a molecular weight of 231.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate is sourced from PubChem (CID 106665977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).