2-aminopentanedioic acid;2-methoxyethanol

C8H17NO6 — CID 87638899

IUPAC2-aminopentanedioic acid;2-methoxyethanol
SMILESCOCCO.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H8O2/c6-3(5(9)10)1-2-4(7)8;1-5-3-2-4/h3H,1-2,6H2,(H,7,8)(H,9,10);4H,2-3H2,1H3
InChIKeyUWAHJXPJOQRARD-UHFFFAOYSA-N
MW223.22 g/mol
LogP-1.11
Rot. Bonds6

About 2-aminopentanedioic acid;2-methoxyethanol

2-aminopentanedioic acid;2-methoxyethanol (PubChem CID 87638899) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-aminopentanedioic acid;2-methoxyethanol.

Molecular Properties

Compound Name2-aminopentanedioic acid;2-methoxyethanol
PubChem CID87638899
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Name2-aminopentanedioic acid;2-methoxyethanol
SMILESCOCCO.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H8O2/c6-3(5(9)10)1-2-4(7)8;1-5-3-2-4/h3H,1-2,6H2,(H,7,8)(H,9,10);4H,2-3H2,1H3
InChIKeyUWAHJXPJOQRARD-UHFFFAOYSA-N
XLogP-1.11
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(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
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
CID 87237505
CID 87237505
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
2-aminopentanedioic acid;ethene
CID 134284547

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;2-methoxyethanol?
The IUPAC name of 2-aminopentanedioic acid;2-methoxyethanol (CID 87638899) is 2-aminopentanedioic acid;2-methoxyethanol.
What is the SMILES notation for 2-aminopentanedioic acid;2-methoxyethanol?
The canonical SMILES for 2-aminopentanedioic acid;2-methoxyethanol is COCCO.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminopentanedioic acid;2-methoxyethanol?
The InChIKey is UWAHJXPJOQRARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C3H8O2/c6-3(5(9)10)1-2-4(7)8;1-5-3-2-4/h3H,1-2,6H2,(H,7,8)(H,9,10);4H,2-3H2,1H3.
What are the key properties of 2-aminopentanedioic acid;2-methoxyethanol?
2-aminopentanedioic acid;2-methoxyethanol has a molecular weight of 223.22 g/mol, XLogP of -1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;2-methoxyethanol is sourced from PubChem (CID 87638899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).