N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride

C10H22Cl2N4O3 — CID 89303124

IUPACN'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride
SMILESCN(C)C(=O)[C@H](CCCCN)NC(=O)C(N)=O.Cl.Cl
InChIInChI=1S/C10H20N4O3.2ClH/c1-14(2)10(17)7(5-3-4-6-11)13-9(16)8(12)15;;/h7H,3-6,11H2,1-2H3,(H2,12,15)(H,13,16);2*1H/t7-;;/m0../s1
InChIKeyLGNYJZKNABJCDH-KLXURFKVSA-N
MW317.22 g/mol
LogP-0.98
Rot. Bonds6

About N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride

N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride (PubChem CID 89303124) has the molecular formula C10H22Cl2N4O3 and a molecular weight of 317.22 g/mol. Its IUPAC name is N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride.

Molecular Properties

Compound NameN'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride
PubChem CID89303124
Molecular FormulaC10H22Cl2N4O3
Molecular Weight317.22 g/mol
Exact Mass316.11
IUPAC NameN'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride
SMILESCN(C)C(=O)[C@H](CCCCN)NC(=O)C(N)=O.Cl.Cl
InChIInChI=1S/C10H20N4O3.2ClH/c1-14(2)10(17)7(5-3-4-6-11)13-9(16)8(12)15;;/h7H,3-6,11H2,1-2H3,(H2,12,15)(H,13,16);2*1H/t7-;;/m0../s1
InChIKeyLGNYJZKNABJCDH-KLXURFKVSA-N
XLogP-0.98
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
methyl (2S)-6-amino-2-(dimethylcarbamoylamino)hexanoate
CID 56990852
6-amino-2-(2-oxopropanoylamino)hexanoic acid
CID 87246065
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
6-amino-2-(butan-2-ylamino)hexanamide
CID 129101574
tert-butyl N-[6-amino-1-[methoxy(methyl)amino]-1-oxohexan-2-yl]carbamate
CID 85093744
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929
6-amino-2-(tert-butylamino)hexanamide
CID 138534378
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
carbamoyl (2S)-2-acetamido-6-aminohexanoate
CID 57200276

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride?
The IUPAC name of N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride (CID 89303124) is N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride.
What is the SMILES notation for N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride?
The canonical SMILES for N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride is CN(C)C(=O)[C@H](CCCCN)NC(=O)C(N)=O.Cl.Cl.
What is the InChIKey of N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride?
The InChIKey is LGNYJZKNABJCDH-KLXURFKVSA-N. The full InChI is InChI=1S/C10H20N4O3.2ClH/c1-14(2)10(17)7(5-3-4-6-11)13-9(16)8(12)15;;/h7H,3-6,11H2,1-2H3,(H2,12,15)(H,13,16);2*1H/t7-;;/m0../s1.
What are the key properties of N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride?
N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride has a molecular weight of 317.22 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride is sourced from PubChem (CID 89303124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).