(2S)-2-aminopentanedioic acid;heptahydrate

C5H23NO11 — CID 156766287

IUPAC(2S)-2-aminopentanedioic acid;heptahydrate
SMILESN[C@@H](CCC(=O)O)C(=O)O.O.O.O.O.O.O.O
InChIInChI=1S/C5H9NO4.7H2O/c6-3(5(9)10)1-2-4(7)8;;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);7*1H2/t3-;;;;;;;/m0......./s1
InChIKeyKSHNOVPDHABGKD-WIMOTELVSA-N
MW273.23 g/mol
LogP-6.51
Rot. Bonds4

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

(2S)-2-aminopentanedioic acid;heptahydrate (PubChem CID 156766287) has the molecular formula C5H23NO11 and a molecular weight of 273.23 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;heptahydrate.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;heptahydrate
PubChem CID156766287
Molecular FormulaC5H23NO11
Molecular Weight273.23 g/mol
Exact Mass273.13
IUPAC Name(2S)-2-aminopentanedioic acid;heptahydrate
SMILESN[C@@H](CCC(=O)O)C(=O)O.O.O.O.O.O.O.O
InChIInChI=1S/C5H9NO4.7H2O/c6-3(5(9)10)1-2-4(7)8;;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);7*1H2/t3-;;;;;;;/m0......./s1
InChIKeyKSHNOVPDHABGKD-WIMOTELVSA-N
XLogP-6.51
TPSA321.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 5-6.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
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 (2S)-2-aminopentanedioic acid;heptahydrate?
The IUPAC name of (2S)-2-aminopentanedioic acid;heptahydrate (CID 156766287) is (2S)-2-aminopentanedioic acid;heptahydrate.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;heptahydrate?
The canonical SMILES for (2S)-2-aminopentanedioic acid;heptahydrate is N[C@@H](CCC(=O)O)C(=O)O.O.O.O.O.O.O.O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;heptahydrate?
The InChIKey is KSHNOVPDHABGKD-WIMOTELVSA-N. The full InChI is InChI=1S/C5H9NO4.7H2O/c6-3(5(9)10)1-2-4(7)8;;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);7*1H2/t3-;;;;;;;/m0......./s1.
What are the key properties of (2S)-2-aminopentanedioic acid;heptahydrate?
(2S)-2-aminopentanedioic acid;heptahydrate has a molecular weight of 273.23 g/mol, XLogP of -6.51, 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;heptahydrate is sourced from PubChem (CID 156766287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).