(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride

C10H22ClN3O2 — CID 119270119

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N(C)CC(=O)N(C)C.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-7(2)9(11)10(15)13(5)6-8(14)12(3)4;/h7,9H,6,11H2,1-5H3;1H/t9-;/m0./s1
InChIKeyWHVNLHRANIZGPA-FVGYRXGTSA-N
MW251.76 g/mol
LogP-0.06
Rot. Bonds4

About (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride (PubChem CID 119270119) has the molecular formula C10H22ClN3O2 and a molecular weight of 251.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
PubChem CID119270119
Molecular FormulaC10H22ClN3O2
Molecular Weight251.76 g/mol
Exact Mass251.14
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N(C)CC(=O)N(C)C.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-7(2)9(11)10(15)13(5)6-8(14)12(3)4;/h7,9H,6,11H2,1-5H3;1H/t9-;/m0./s1
InChIKeyWHVNLHRANIZGPA-FVGYRXGTSA-N
XLogP-0.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride (CID 119270119) is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride is CC(C)[C@H](N)C(=O)N(C)CC(=O)N(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride?
The InChIKey is WHVNLHRANIZGPA-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H21N3O2.ClH/c1-7(2)9(11)10(15)13(5)6-8(14)12(3)4;/h7,9H,6,11H2,1-5H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119270119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).