(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride

C8H19Cl2N3O2 — CID 87710787

IUPAC(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
SMILESC[C@@H](NC(=O)CCN(C)C)C(N)=O.Cl.Cl
InChIInChI=1S/C8H17N3O2.2ClH/c1-6(8(9)13)10-7(12)4-5-11(2)3;;/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12);2*1H/t6-;;/m1../s1
InChIKeyUOYCYQBKDXWNAL-QYCVXMPOSA-N
MW260.16 g/mol
LogP-0.23
Rot. Bonds5

About (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride

(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride (PubChem CID 87710787) has the molecular formula C8H19Cl2N3O2 and a molecular weight of 260.16 g/mol. Its IUPAC name is (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
PubChem CID87710787
Molecular FormulaC8H19Cl2N3O2
Molecular Weight260.16 g/mol
Exact Mass259.09
IUPAC Name(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
SMILESC[C@@H](NC(=O)CCN(C)C)C(N)=O.Cl.Cl
InChIInChI=1S/C8H17N3O2.2ClH/c1-6(8(9)13)10-7(12)4-5-11(2)3;;/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12);2*1H/t6-;;/m1../s1
InChIKeyUOYCYQBKDXWNAL-QYCVXMPOSA-N
XLogP-0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
2-(3-chloropropanoylamino)propanamide
CID 43545572
ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
CID 60698765
2-[3-(tert-butylamino)propanoylamino]propanamide
CID 60850067
3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
CID 61202238
4-(dimethylamino)-2-methylbutanamide;hydrochloride
CID 143130107
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide
CID 107036969
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine
CID 21308808
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride (CID 87710787) is (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride is C[C@@H](NC(=O)CCN(C)C)C(N)=O.Cl.Cl.
What is the InChIKey of (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride?
The InChIKey is UOYCYQBKDXWNAL-QYCVXMPOSA-N. The full InChI is InChI=1S/C8H17N3O2.2ClH/c1-6(8(9)13)10-7(12)4-5-11(2)3;;/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12);2*1H/t6-;;/m1../s1.
What are the key properties of (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride?
(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride has a molecular weight of 260.16 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride is sourced from PubChem (CID 87710787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).