(1-amino-2-methylpropan-2-yl) acetate

C6H13NO2 — CID 20827160

IUPAC(1-amino-2-methylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CN
InChIInChI=1S/C6H13NO2/c1-5(8)9-6(2,3)4-7/h4,7H2,1-3H3
InChIKeyKVRWIDXKTNZMES-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.29
Rot. Bonds2

About (1-amino-2-methylpropan-2-yl) acetate

(1-amino-2-methylpropan-2-yl) acetate (PubChem CID 20827160) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) acetate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) acetate
PubChem CID20827160
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(1-amino-2-methylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CN
InChIInChI=1S/C6H13NO2/c1-5(8)9-6(2,3)4-7/h4,7H2,1-3H3
InChIKeyKVRWIDXKTNZMES-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-2-methylpropan-2-yl) acetate;hydrochloride
CID 86587340
(4-acetyloxy-2,4-dimethylpentan-2-yl) acetate;methane
CID 161391637
(1-amino-2-methylpropan-2-yl) 3-aminopropanoate
CID 142053345
[2-(2-acetyloxy-2-methylpropoxy)-2-methylpropyl] acetate
CID 138481076
(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate
CID 139681743
1,1-diaminoethyl acetate
CID 87732493
(2-carboxyoxy-2-methylpropyl) acetate
CID 151546232
(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
CID 139681751
(2-acetyloxy-2-methylpropyl) 3-aminobut-2-enoate
CID 71334401
tert-butyl acetate
CID 159704758
(1-cyclopropyl-2-methylpropan-2-yl) acetate
CID 174859828
2,2-dimethylpropyl acetate
CID 13552

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) acetate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) acetate (CID 20827160) is (1-amino-2-methylpropan-2-yl) acetate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) acetate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) acetate is CC(=O)OC(C)(C)CN.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) acetate?
The InChIKey is KVRWIDXKTNZMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(8)9-6(2,3)4-7/h4,7H2,1-3H3.
What are the key properties of (1-amino-2-methylpropan-2-yl) acetate?
(1-amino-2-methylpropan-2-yl) acetate has a molecular weight of 131.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) acetate is sourced from PubChem (CID 20827160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).