3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate

C11H23NO3 — CID 65266255

IUPAC3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate
SMILESCOCCCOC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H23NO3/c1-10(2,11(3,4)12)9(13)15-8-6-7-14-5/h6-8,12H2,1-5H3
InChIKeyQFQKJGHDUSEISM-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds6

About 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate

3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate (PubChem CID 65266255) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate
PubChem CID65266255
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate
SMILESCOCCCOC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H23NO3/c1-10(2,11(3,4)12)9(13)15-8-6-7-14-5/h6-8,12H2,1-5H3
InChIKeyQFQKJGHDUSEISM-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylpentyl 3-amino-2,2,3-trimethylbutanoate
CID 65266065
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate
CID 103403485
dipentyl 2,2,3,3-tetramethylbutanedioate
CID 151610972
2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate
CID 103178593
dioctyl 2,2,3,3-tetramethylbutanedioate
CID 169094094
3-amino-N,N-bis(2-methoxyethyl)-2,2,3-trimethylbutanamide
CID 65264293
1-O-[3-[(2R,3R)-4-[3-[(2R,3R)-2,3-dihydroxy-4-(3-methoxypropoxy)-4-oxobutanoyl]oxypropoxy]-2,3-dihydroxy-4-oxobutanoyl]oxypropyl] 4-O-(3-methoxypropyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101011423
bis(3-methoxypropyl) (Z)-but-2-enedioate
CID 87255789
butyl 2,2,3,3-tetramethylbutanoate;ethane
CID 144536204
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
3-methoxypropyl 3,3,3-trifluoropropanoate
CID 88537757

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate?
The IUPAC name of 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate (CID 65266255) is 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate.
What is the SMILES notation for 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate?
The canonical SMILES for 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate is COCCCOC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate?
The InChIKey is QFQKJGHDUSEISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2,11(3,4)12)9(13)15-8-6-7-14-5/h6-8,12H2,1-5H3.
What are the key properties of 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate?
3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate is sourced from PubChem (CID 65266255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).