[2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate

C8H17NO3 — CID 14391248

IUPAC[2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate
SMILESCC(=O)OCC(N)(CO)C(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)8(9,4-10)5-12-7(3)11/h6,10H,4-5,9H2,1-3H3
InChIKeyNVBAWZJWKSEHPJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.10
Rot. Bonds4

About [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate

[2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate (PubChem CID 14391248) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate.

Molecular Properties

Compound Name[2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate
PubChem CID14391248
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate
SMILESCC(=O)OCC(N)(CO)C(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)8(9,4-10)5-12-7(3)11/h6,10H,4-5,9H2,1-3H3
InChIKeyNVBAWZJWKSEHPJ-UHFFFAOYSA-N
XLogP-0.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate?
The IUPAC name of [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate (CID 14391248) is [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate.
What is the SMILES notation for [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate?
The canonical SMILES for [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate is CC(=O)OCC(N)(CO)C(C)C.
What is the InChIKey of [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate?
The InChIKey is NVBAWZJWKSEHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)8(9,4-10)5-12-7(3)11/h6,10H,4-5,9H2,1-3H3.
What are the key properties of [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate?
[2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate has a molecular weight of 175.23 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate is sourced from PubChem (CID 14391248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).