(3-amino-2,2-dimethylpropyl) 2-methylpropanoate

C9H19NO2 — CID 20523360

IUPAC(3-amino-2,2-dimethylpropyl) 2-methylpropanoate
SMILESCC(C)C(=O)OCC(C)(C)CN
InChIInChI=1S/C9H19NO2/c1-7(2)8(11)12-6-9(3,4)5-10/h7H,5-6,10H2,1-4H3
InChIKeyOZTZCKCGUCGJHP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.17
Rot. Bonds4

About (3-amino-2,2-dimethylpropyl) 2-methylpropanoate

(3-amino-2,2-dimethylpropyl) 2-methylpropanoate (PubChem CID 20523360) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3-amino-2,2-dimethylpropyl) 2-methylpropanoate.

Molecular Properties

Compound Name(3-amino-2,2-dimethylpropyl) 2-methylpropanoate
PubChem CID20523360
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3-amino-2,2-dimethylpropyl) 2-methylpropanoate
SMILESCC(C)C(=O)OCC(C)(C)CN
InChIInChI=1S/C9H19NO2/c1-7(2)8(11)12-6-9(3,4)5-10/h7H,5-6,10H2,1-4H3
InChIKeyOZTZCKCGUCGJHP-UHFFFAOYSA-N
XLogP1.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-dimethylpropyl) 2-methylpropanoate?
The IUPAC name of (3-amino-2,2-dimethylpropyl) 2-methylpropanoate (CID 20523360) is (3-amino-2,2-dimethylpropyl) 2-methylpropanoate.
What is the SMILES notation for (3-amino-2,2-dimethylpropyl) 2-methylpropanoate?
The canonical SMILES for (3-amino-2,2-dimethylpropyl) 2-methylpropanoate is CC(C)C(=O)OCC(C)(C)CN.
What is the InChIKey of (3-amino-2,2-dimethylpropyl) 2-methylpropanoate?
The InChIKey is OZTZCKCGUCGJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)8(11)12-6-9(3,4)5-10/h7H,5-6,10H2,1-4H3.
What are the key properties of (3-amino-2,2-dimethylpropyl) 2-methylpropanoate?
(3-amino-2,2-dimethylpropyl) 2-methylpropanoate has a molecular weight of 173.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-dimethylpropyl) 2-methylpropanoate is sourced from PubChem (CID 20523360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).