3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid

C14H29NO5 — CID 88689806

IUPAC3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid
SMILESCC(C)(N)C(C)(C)O.CCC(C(=O)O)(C(=O)O)C(C)C
InChIInChI=1S/C8H14O4.C6H15NO/c1-4-8(5(2)3,6(9)10)7(11)12;1-5(2,7)6(3,4)8/h5H,4H2,1-3H3,(H,9,10)(H,11,12);8H,7H2,1-4H3
InChIKeyNTIONZBVYRDGDL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.70
Rot. Bonds5

About 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid

3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid (PubChem CID 88689806) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid.

Molecular Properties

Compound Name3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid
PubChem CID88689806
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid
SMILESCC(C)(N)C(C)(C)O.CCC(C(=O)O)(C(=O)O)C(C)C
InChIInChI=1S/C8H14O4.C6H15NO/c1-4-8(5(2)3,6(9)10)7(11)12;1-5(2,7)6(3,4)8/h5H,4H2,1-3H3,(H,9,10)(H,11,12);8H,7H2,1-4H3
InChIKeyNTIONZBVYRDGDL-UHFFFAOYSA-N
XLogP1.70
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid?
The IUPAC name of 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid (CID 88689806) is 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid.
What is the SMILES notation for 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid?
The canonical SMILES for 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid is CC(C)(N)C(C)(C)O.CCC(C(=O)O)(C(=O)O)C(C)C.
What is the InChIKey of 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid?
The InChIKey is NTIONZBVYRDGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C6H15NO/c1-4-8(5(2)3,6(9)10)7(11)12;1-5(2,7)6(3,4)8/h5H,4H2,1-3H3,(H,9,10)(H,11,12);8H,7H2,1-4H3.
What are the key properties of 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid?
3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid has a molecular weight of 291.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid is sourced from PubChem (CID 88689806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).