(3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride

C10H20ClNO4 — CID 173374067

IUPAC(3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride
SMILESCC(=O)OC(C)C(=O)OC(C)(C)C(C)N.Cl
InChIInChI=1S/C10H19NO4.ClH/c1-6(14-8(3)12)9(13)15-10(4,5)7(2)11;/h6-7H,11H2,1-5H3;1H
InChIKeyZPGJSTVCHSVOQX-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.03
Rot. Bonds4

About (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride

(3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride (PubChem CID 173374067) has the molecular formula C10H20ClNO4 and a molecular weight of 253.73 g/mol. Its IUPAC name is (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride.

Molecular Properties

Compound Name(3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride
PubChem CID173374067
Molecular FormulaC10H20ClNO4
Molecular Weight253.73 g/mol
Exact Mass253.11
IUPAC Name(3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride
SMILESCC(=O)OC(C)C(=O)OC(C)(C)C(C)N.Cl
InChIInChI=1S/C10H19NO4.ClH/c1-6(14-8(3)12)9(13)15-10(4,5)7(2)11;/h6-7H,11H2,1-5H3;1H
InChIKeyZPGJSTVCHSVOQX-UHFFFAOYSA-N
XLogP1.03
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291
1-propan-2-yloxyethyl 2-acetyloxypropanoate
CID 171574286
(2S)-2-acetyloxypropanoic acid
CID 6326324
(3-amino-2-methylpentan-2-yl) acetate
CID 174797073
propan-2-yl acetate;hydrochloride
CID 87336432
(2S)-2-acetyloxypropanoate
CID 40784882
[(2S)-1-bromo-1-oxopropan-2-yl] acetate
CID 18637837
[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate
CID 58669031
[3-(4,4-dimethyl-3-oxopentan-2-yl)oxy-3-oxopropyl] 2-acetyloxypropanoate
CID 153317884
2-acetyloxypropanoyl(trihydroxy)phosphanium
CID 57269878
(2-amino-3-methylbutan-2-yl) acetate
CID 140983582
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride?
The IUPAC name of (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride (CID 173374067) is (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride.
What is the SMILES notation for (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride?
The canonical SMILES for (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride is CC(=O)OC(C)C(=O)OC(C)(C)C(C)N.Cl.
What is the InChIKey of (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride?
The InChIKey is ZPGJSTVCHSVOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4.ClH/c1-6(14-8(3)12)9(13)15-10(4,5)7(2)11;/h6-7H,11H2,1-5H3;1H.
What are the key properties of (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride?
(3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride is sourced from PubChem (CID 173374067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).