(2S)-2,3-diaminopentanedioic acid;dihydrochloride

C5H12Cl2N2O4 — CID 156620465

IUPAC(2S)-2,3-diaminopentanedioic acid;dihydrochloride
SMILESCl.Cl.NC(CC(=O)O)[C@H](N)C(=O)O
InChIInChI=1S/C5H10N2O4.2ClH/c6-2(1-3(8)9)4(7)5(10)11;;/h2,4H,1,6-7H2,(H,8,9)(H,10,11);2*1H/t2?,4-;;/m0../s1
InChIKeyKJRIRXKSBSESKZ-JXHMDUIHSA-N
MW235.07 g/mol
LogP-0.96
Rot. Bonds4

About (2S)-2,3-diaminopentanedioic acid;dihydrochloride

(2S)-2,3-diaminopentanedioic acid;dihydrochloride (PubChem CID 156620465) has the molecular formula C5H12Cl2N2O4 and a molecular weight of 235.07 g/mol. Its IUPAC name is (2S)-2,3-diaminopentanedioic acid;dihydrochloride.

Molecular Properties

Compound Name(2S)-2,3-diaminopentanedioic acid;dihydrochloride
PubChem CID156620465
Molecular FormulaC5H12Cl2N2O4
Molecular Weight235.07 g/mol
Exact Mass234.02
IUPAC Name(2S)-2,3-diaminopentanedioic acid;dihydrochloride
SMILESCl.Cl.NC(CC(=O)O)[C@H](N)C(=O)O
InChIInChI=1S/C5H10N2O4.2ClH/c6-2(1-3(8)9)4(7)5(10)11;;/h2,4H,1,6-7H2,(H,8,9)(H,10,11);2*1H/t2?,4-;;/m0../s1
InChIKeyKJRIRXKSBSESKZ-JXHMDUIHSA-N
XLogP-0.96
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
(3R)-2-amino-3-methylpentanedioic acid
CID 90857110
2-aminobutanedioic acid;carbamic acid
CID 87364941
2,3-diaminopentanoic acid
CID 22719142
3-amino-3-bromopropanoic acid
CID 88756244
3,6-diamino-4,5-dihydroxyoctanedioic acid;bis(2-hydroxybutanedioic acid)
CID 11540651
azane;3,4-diaminopentanoic acid
CID 173404371
(2R,3S)-2-amino-3-cyanopentanedioic acid
CID 162885810
2-aminobutanedioic acid;molybdenum
CID 76550864
2-aminobutanedioic acid;selane
CID 174828111

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-diaminopentanedioic acid;dihydrochloride?
The IUPAC name of (2S)-2,3-diaminopentanedioic acid;dihydrochloride (CID 156620465) is (2S)-2,3-diaminopentanedioic acid;dihydrochloride.
What is the SMILES notation for (2S)-2,3-diaminopentanedioic acid;dihydrochloride?
The canonical SMILES for (2S)-2,3-diaminopentanedioic acid;dihydrochloride is Cl.Cl.NC(CC(=O)O)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,3-diaminopentanedioic acid;dihydrochloride?
The InChIKey is KJRIRXKSBSESKZ-JXHMDUIHSA-N. The full InChI is InChI=1S/C5H10N2O4.2ClH/c6-2(1-3(8)9)4(7)5(10)11;;/h2,4H,1,6-7H2,(H,8,9)(H,10,11);2*1H/t2?,4-;;/m0../s1.
What are the key properties of (2S)-2,3-diaminopentanedioic acid;dihydrochloride?
(2S)-2,3-diaminopentanedioic acid;dihydrochloride has a molecular weight of 235.07 g/mol, XLogP of -0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-diaminopentanedioic acid;dihydrochloride is sourced from PubChem (CID 156620465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).