2-aminopentanedioic acid;ethene

C9H17NO4 — CID 134284547

IUPAC2-aminopentanedioic acid;ethene
SMILESC=C.C=C.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.2C2H4/c6-3(5(9)10)1-2-4(7)8;2*1-2/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1-2H2
InChIKeyYORJXLXHDZMAAJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.87
Rot. Bonds4

About 2-aminopentanedioic acid;ethene

2-aminopentanedioic acid;ethene (PubChem CID 134284547) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-aminopentanedioic acid;ethene.

Molecular Properties

Compound Name2-aminopentanedioic acid;ethene
PubChem CID134284547
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-aminopentanedioic acid;ethene
SMILESC=C.C=C.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.2C2H4/c6-3(5(9)10)1-2-4(7)8;2*1-2/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1-2H2
InChIKeyYORJXLXHDZMAAJ-UHFFFAOYSA-N
XLogP0.87
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(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
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
CID 87237505
CID 87237505
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;ethene?
The IUPAC name of 2-aminopentanedioic acid;ethene (CID 134284547) is 2-aminopentanedioic acid;ethene.
What is the SMILES notation for 2-aminopentanedioic acid;ethene?
The canonical SMILES for 2-aminopentanedioic acid;ethene is C=C.C=C.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminopentanedioic acid;ethene?
The InChIKey is YORJXLXHDZMAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.2C2H4/c6-3(5(9)10)1-2-4(7)8;2*1-2/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1-2H2.
What are the key properties of 2-aminopentanedioic acid;ethene?
2-aminopentanedioic acid;ethene has a molecular weight of 203.24 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;ethene is sourced from PubChem (CID 134284547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).