(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride

C11H24ClN3O2 — CID 119687384

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N(C)CC(=O)N(C)C.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-8(2)6-9(12)11(16)14(5)7-10(15)13(3)4;/h8-9H,6-7,12H2,1-5H3;1H/t9-;/m0./s1
InChIKeyBNPSBVGISINTJG-FVGYRXGTSA-N
MW265.79 g/mol
LogP0.33
Rot. Bonds5

About (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride

(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride (PubChem CID 119687384) has the molecular formula C11H24ClN3O2 and a molecular weight of 265.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
PubChem CID119687384
Molecular FormulaC11H24ClN3O2
Molecular Weight265.79 g/mol
Exact Mass265.16
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N(C)CC(=O)N(C)C.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-8(2)6-9(12)11(16)14(5)7-10(15)13(3)4;/h8-9H,6-7,12H2,1-5H3;1H/t9-;/m0./s1
InChIKeyBNPSBVGISINTJG-FVGYRXGTSA-N
XLogP0.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 104902620
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270119
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
CID 61158178
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpentanamide
CID 107568202
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 61164150
(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
CID 104904051
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 61164738
(2S)-2-amino-N-(2-methoxyethyl)-N,4-dimethylpentanamide
CID 61159296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride (CID 119687384) is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride is CC(C)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,4-dimethylpentanamide;hydrochloride?
The InChIKey is BNPSBVGISINTJG-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H23N3O2.ClH/c1-8(2)6-9(12)11(16)14(5)7-10(15)13(3)4;/h8-9H,6-7,12H2,1-5H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 0.33, 5 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,4-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119687384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).