(2S)-2-aminobutanedioate;manganese(2+);hydrochloride

C4H6ClMnNO4 — CID 88636151

IUPAC(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
SMILESCl.N[C@@H](CC(=O)[O-])C(=O)[O-].[Mn+2]
InChIInChI=1S/C4H7NO4.ClH.Mn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2/t2-;;/m0../s1
InChIKeyBYYLKXQFVZKTFT-JIZZDEOASA-L
MW222.49 g/mol
LogP-3.38
Rot. Bonds3

About (2S)-2-aminobutanedioate;manganese(2+);hydrochloride

(2S)-2-aminobutanedioate;manganese(2+);hydrochloride (PubChem CID 88636151) has the molecular formula C4H6ClMnNO4 and a molecular weight of 222.49 g/mol. Its IUPAC name is (2S)-2-aminobutanedioate;manganese(2+);hydrochloride.

Molecular Properties

Compound Name(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
PubChem CID88636151
Molecular FormulaC4H6ClMnNO4
Molecular Weight222.49 g/mol
Exact Mass221.94
IUPAC Name(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
SMILESCl.N[C@@H](CC(=O)[O-])C(=O)[O-].[Mn+2]
InChIInChI=1S/C4H7NO4.ClH.Mn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2/t2-;;/m0../s1
InChIKeyBYYLKXQFVZKTFT-JIZZDEOASA-L
XLogP-3.38
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.49
LogP ≤ 5-3.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

calcium;2-aminobutanedioate;hydrochloride
CID 19880069
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
2-aminobutanedioate
CID 4519554
CID 21127296
CID 21127296
(2S)-2-aminobutanedioate;silver
CID 87272123
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
disodium;2-aminobutanedioate
CID 172873588
dicesium;(2S)-2-aminobutanedioate
CID 11639845
magnesium;bis(2-aminobutanedioate);hydron
CID 78170001
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
CID 140602404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioate;manganese(2+);hydrochloride?
The IUPAC name of (2S)-2-aminobutanedioate;manganese(2+);hydrochloride (CID 88636151) is (2S)-2-aminobutanedioate;manganese(2+);hydrochloride.
What is the SMILES notation for (2S)-2-aminobutanedioate;manganese(2+);hydrochloride?
The canonical SMILES for (2S)-2-aminobutanedioate;manganese(2+);hydrochloride is Cl.N[C@@H](CC(=O)[O-])C(=O)[O-].[Mn+2].
What is the InChIKey of (2S)-2-aminobutanedioate;manganese(2+);hydrochloride?
The InChIKey is BYYLKXQFVZKTFT-JIZZDEOASA-L. The full InChI is InChI=1S/C4H7NO4.ClH.Mn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2/t2-;;/m0../s1.
What are the key properties of (2S)-2-aminobutanedioate;manganese(2+);hydrochloride?
(2S)-2-aminobutanedioate;manganese(2+);hydrochloride has a molecular weight of 222.49 g/mol, XLogP of -3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioate;manganese(2+);hydrochloride is sourced from PubChem (CID 88636151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).