(2-amino-3-methylbutan-2-yl) acetate

C7H15NO2 — CID 140983582

IUPAC(2-amino-3-methylbutan-2-yl) acetate
SMILESCC(=O)OC(C)(N)C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)7(4,8)10-6(3)9/h5H,8H2,1-4H3
InChIKeyXWSNPMBAAGKBGK-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.88
Rot. Bonds2

About (2-amino-3-methylbutan-2-yl) acetate

(2-amino-3-methylbutan-2-yl) acetate (PubChem CID 140983582) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2-amino-3-methylbutan-2-yl) acetate.

Molecular Properties

Compound Name(2-amino-3-methylbutan-2-yl) acetate
PubChem CID140983582
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2-amino-3-methylbutan-2-yl) acetate
SMILESCC(=O)OC(C)(N)C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)7(4,8)10-6(3)9/h5H,8H2,1-4H3
InChIKeyXWSNPMBAAGKBGK-UHFFFAOYSA-N
XLogP0.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diaminoethyl acetate
CID 87732493
azane;2,3,4-trimethylpentan-3-yl acetate
CID 87190054
(3-amino-2,3-dimethylbutan-2-yl) acetate
CID 163657238
tert-butyl acetate
CID 159704758
(3-fluoro-2-methylbutan-2-yl) acetate
CID 153406673
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
CID 158638255
tert-butyl acetate;iron
CID 174907269
sodium tert-butyl acetate
CID 22391906
1,1,2,2,2-pentaacetyloxyethyl acetate
CID 71773968
(1-chloro-2-methylbutan-2-yl) acetate
CID 23269035
(1-amino-2-methylpropan-2-yl) acetate
CID 20827160
2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate
CID 142775471

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylbutan-2-yl) acetate?
The IUPAC name of (2-amino-3-methylbutan-2-yl) acetate (CID 140983582) is (2-amino-3-methylbutan-2-yl) acetate.
What is the SMILES notation for (2-amino-3-methylbutan-2-yl) acetate?
The canonical SMILES for (2-amino-3-methylbutan-2-yl) acetate is CC(=O)OC(C)(N)C(C)C.
What is the InChIKey of (2-amino-3-methylbutan-2-yl) acetate?
The InChIKey is XWSNPMBAAGKBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)7(4,8)10-6(3)9/h5H,8H2,1-4H3.
What are the key properties of (2-amino-3-methylbutan-2-yl) acetate?
(2-amino-3-methylbutan-2-yl) acetate has a molecular weight of 145.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylbutan-2-yl) acetate is sourced from PubChem (CID 140983582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).