(2S)-2-aminopentanedioic acid;trihydrochloride

C5H12Cl3NO4 — CID 140679884

IUPAC(2S)-2-aminopentanedioic acid;trihydrochloride
SMILESCl.Cl.Cl.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.3ClH/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);3*1H/t3-;;;/m0.../s1
InChIKeyABWIMTKYKNFIRB-LHWPGRLPSA-N
MW256.51 g/mol
LogP0.53
Rot. Bonds4

About (2S)-2-aminopentanedioic acid;trihydrochloride

(2S)-2-aminopentanedioic acid;trihydrochloride (PubChem CID 140679884) has the molecular formula C5H12Cl3NO4 and a molecular weight of 256.51 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;trihydrochloride.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;trihydrochloride
PubChem CID140679884
Molecular FormulaC5H12Cl3NO4
Molecular Weight256.51 g/mol
Exact Mass254.98
IUPAC Name(2S)-2-aminopentanedioic acid;trihydrochloride
SMILESCl.Cl.Cl.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.3ClH/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);3*1H/t3-;;;/m0.../s1
InChIKeyABWIMTKYKNFIRB-LHWPGRLPSA-N
XLogP0.53
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.51
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
CID 173441751
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;hexahydrate
CID 173177476
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
2-aminopentanedioic acid;ethene
CID 134284547
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;trihydrochloride?
The IUPAC name of (2S)-2-aminopentanedioic acid;trihydrochloride (CID 140679884) is (2S)-2-aminopentanedioic acid;trihydrochloride.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;trihydrochloride?
The canonical SMILES for (2S)-2-aminopentanedioic acid;trihydrochloride is Cl.Cl.Cl.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;trihydrochloride?
The InChIKey is ABWIMTKYKNFIRB-LHWPGRLPSA-N. The full InChI is InChI=1S/C5H9NO4.3ClH/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);3*1H/t3-;;;/m0.../s1.
What are the key properties of (2S)-2-aminopentanedioic acid;trihydrochloride?
(2S)-2-aminopentanedioic acid;trihydrochloride has a molecular weight of 256.51 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;trihydrochloride is sourced from PubChem (CID 140679884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).