dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate

C11H21NO4 — CID 105489493

IUPACdimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
SMILESCOC(=O)C(C)(C)C(N)C(C)(C)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-10(2,8(13)15-5)7(12)11(3,4)9(14)16-6/h7H,12H2,1-6H3
InChIKeyQHWBVRCAYAXIOA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.71
Rot. Bonds4

About dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate

dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate (PubChem CID 105489493) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate.

Molecular Properties

Compound Namedimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
PubChem CID105489493
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namedimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
SMILESCOC(=O)C(C)(C)C(N)C(C)(C)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-10(2,8(13)15-5)7(12)11(3,4)9(14)16-6/h7H,12H2,1-6H3
InChIKeyQHWBVRCAYAXIOA-UHFFFAOYSA-N
XLogP0.71
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride
CID 146049302
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl 3-amino-2,2-dimethylhexanoate
CID 115014178
methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate
CID 116910331
methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate
CID 16658549
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
4-O-ethyl 1-O-methyl 3-ethyl-2,2-dimethylbutanedioate
CID 59124916
3-O-(3-methoxy-2,2-dimethyl-3-oxopropanoyl) 1-O-methyl 2,2-dimethylpropanedioate
CID 139054712
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl 2-methoxy-2,3-dimethylbutanoate
CID 59972485
methyl (3S)-3-amino-3-(2,6-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171247825
methyl (3S)-3-amino-3-(4-hydroxy-3,5-diiodophenyl)-2,2-dimethylpropanoate
CID 171251635

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate?
The IUPAC name of dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate (CID 105489493) is dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate.
What is the SMILES notation for dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate?
The canonical SMILES for dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate is COC(=O)C(C)(C)C(N)C(C)(C)C(=O)OC.
What is the InChIKey of dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate?
The InChIKey is QHWBVRCAYAXIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,8(13)15-5)7(12)11(3,4)9(14)16-6/h7H,12H2,1-6H3.
What are the key properties of dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate?
dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate has a molecular weight of 231.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate is sourced from PubChem (CID 105489493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).