(2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride

C13H25ClN4O3 — CID 119818603

IUPAC(2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride
SMILESCOC(C)c1noc(CN(C)C(=O)[C@@H](N)C(C)(C)C)n1.Cl
InChIInChI=1S/C13H24N4O3.ClH/c1-8(19-6)11-15-9(20-16-11)7-17(5)12(18)10(14)13(2,3)4;/h8,10H,7,14H2,1-6H3;1H/t8?,10-;/m1./s1
InChIKeyGZGMGGMRIMDIPS-JDXSOMNQSA-N
MW320.82 g/mol
LogP1.53
Rot. Bonds5

About (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride

(2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride (PubChem CID 119818603) has the molecular formula C13H25ClN4O3 and a molecular weight of 320.82 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride
PubChem CID119818603
Molecular FormulaC13H25ClN4O3
Molecular Weight320.82 g/mol
Exact Mass320.16
IUPAC Name(2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride
SMILESCOC(C)c1noc(CN(C)C(=O)[C@@H](N)C(C)(C)C)n1.Cl
InChIInChI=1S/C13H24N4O3.ClH/c1-8(19-6)11-15-9(20-16-11)7-17(5)12(18)10(14)13(2,3)4;/h8,10H,7,14H2,1-6H3;1H/t8?,10-;/m1./s1
InChIKeyGZGMGGMRIMDIPS-JDXSOMNQSA-N
XLogP1.53
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride (CID 119818603) is (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride is COC(C)c1noc(CN(C)C(=O)[C@@H](N)C(C)(C)C)n1.Cl.
What is the InChIKey of (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride?
The InChIKey is GZGMGGMRIMDIPS-JDXSOMNQSA-N. The full InChI is InChI=1S/C13H24N4O3.ClH/c1-8(19-6)11-15-9(20-16-11)7-17(5)12(18)10(14)13(2,3)4;/h8,10H,7,14H2,1-6H3;1H/t8?,10-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride is sourced from PubChem (CID 119818603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).