2-aminopentanedioic acid;hexahydrate

C5H21NO10 — CID 173177476

IUPAC2-aminopentanedioic acid;hexahydrate
SMILESNC(CCC(=O)O)C(=O)O.O.O.O.O.O.O
InChIInChI=1S/C5H9NO4.6H2O/c6-3(5(9)10)1-2-4(7)8;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);6*1H2
InChIKeyVRGIFBHZMLKFIK-UHFFFAOYSA-N
MW255.22 g/mol
LogP-5.69
Rot. Bonds4

About 2-aminopentanedioic acid;hexahydrate

2-aminopentanedioic acid;hexahydrate (PubChem CID 173177476) has the molecular formula C5H21NO10 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-aminopentanedioic acid;hexahydrate.

Molecular Properties

Compound Name2-aminopentanedioic acid;hexahydrate
PubChem CID173177476
Molecular FormulaC5H21NO10
Molecular Weight255.22 g/mol
Exact Mass255.12
IUPAC Name2-aminopentanedioic acid;hexahydrate
SMILESNC(CCC(=O)O)C(=O)O.O.O.O.O.O.O
InChIInChI=1S/C5H9NO4.6H2O/c6-3(5(9)10)1-2-4(7)8;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);6*1H2
InChIKeyVRGIFBHZMLKFIK-UHFFFAOYSA-N
XLogP-5.69
TPSA289.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 5-5.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274
CID 87237505
CID 87237505
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
potassium;2-aminopentanedioic acid;hydride
CID 173070457

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;hexahydrate?
The IUPAC name of 2-aminopentanedioic acid;hexahydrate (CID 173177476) is 2-aminopentanedioic acid;hexahydrate.
What is the SMILES notation for 2-aminopentanedioic acid;hexahydrate?
The canonical SMILES for 2-aminopentanedioic acid;hexahydrate is NC(CCC(=O)O)C(=O)O.O.O.O.O.O.O.
What is the InChIKey of 2-aminopentanedioic acid;hexahydrate?
The InChIKey is VRGIFBHZMLKFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.6H2O/c6-3(5(9)10)1-2-4(7)8;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);6*1H2.
What are the key properties of 2-aminopentanedioic acid;hexahydrate?
2-aminopentanedioic acid;hexahydrate has a molecular weight of 255.22 g/mol, XLogP of -5.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;hexahydrate is sourced from PubChem (CID 173177476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).