(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride

C5H11ClN2O3 — CID 141227673

IUPAC(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
SMILESCNC(=O)C[C@@H](N)C(=O)O.Cl
InChIInChI=1S/C5H10N2O3.ClH/c1-7-4(8)2-3(6)5(9)10;/h3H,2,6H2,1H3,(H,7,8)(H,9,10);1H/t3-;/m1./s1
InChIKeyBJSMGLDUGLMNDD-AENDTGMFSA-N
MW182.61 g/mol
LogP-1.04
Rot. Bonds3

About (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride

(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride (PubChem CID 141227673) has the molecular formula C5H11ClN2O3 and a molecular weight of 182.61 g/mol. Its IUPAC name is (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
PubChem CID141227673
Molecular FormulaC5H11ClN2O3
Molecular Weight182.61 g/mol
Exact Mass182.05
IUPAC Name(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
SMILESCNC(=O)C[C@@H](N)C(=O)O.Cl
InChIInChI=1S/C5H10N2O3.ClH/c1-7-4(8)2-3(6)5(9)10;/h3H,2,6H2,1H3,(H,7,8)(H,9,10);1H/t3-;/m1./s1
InChIKeyBJSMGLDUGLMNDD-AENDTGMFSA-N
XLogP-1.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87491412
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
(2S)-2-amino-4-(hydroxymethylamino)-4-oxobutanoic acid
CID 87096185
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
2-amino-4-(4-methylpentylamino)-4-oxobutanoic acid
CID 115181137
(2R)-2-amino-4-formamido-4-oxobutanoic acid
CID 131868745
(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 62324056
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
ethane;4-(methylamino)-4-oxo-2-sulfanylbutanoic acid
CID 170596842
(2S)-2-amino-4-methylsulfanyl-4-oxobutanoic acid;hydrochloride
CID 171382737
(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
CID 87358992
2-aminobutanedioic acid;methanesulfonic acid
CID 87903305

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride (CID 141227673) is (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride is CNC(=O)C[C@@H](N)C(=O)O.Cl.
What is the InChIKey of (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride?
The InChIKey is BJSMGLDUGLMNDD-AENDTGMFSA-N. The full InChI is InChI=1S/C5H10N2O3.ClH/c1-7-4(8)2-3(6)5(9)10;/h3H,2,6H2,1H3,(H,7,8)(H,9,10);1H/t3-;/m1./s1.
What are the key properties of (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride?
(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride is sourced from PubChem (CID 141227673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).