(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol

C9H20N2O5 — CID 23619747

IUPAC(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol
SMILESCN(C)CCO.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C4H11NO/c6-3(5(9)10)1-2-4(7)8;1-5(2)3-4-6/h3H,1-2,6H2,(H,7,8)(H,9,10);6H,3-4H2,1-2H3/t3-;/m0./s1
InChIKeyIKFZABILOXSNSM-DFWYDOINSA-N
MW236.27 g/mol
LogP-1.20
Rot. Bonds6

About (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol

(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol (PubChem CID 23619747) has the molecular formula C9H20N2O5 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol
PubChem CID23619747
Molecular FormulaC9H20N2O5
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol
SMILESCN(C)CCO.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C4H11NO/c6-3(5(9)10)1-2-4(7)8;1-5(2)3-4-6/h3H,1-2,6H2,(H,7,8)(H,9,10);6H,3-4H2,1-2H3/t3-;/m0./s1
InChIKeyIKFZABILOXSNSM-DFWYDOINSA-N
XLogP-1.20
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.20
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
(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
2-aminopentanedioic acid;N,N-dimethylformamide
CID 174735498
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
CID 87237505
CID 87237505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol?
The IUPAC name of (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol (CID 23619747) is (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol?
The canonical SMILES for (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol is CN(C)CCO.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol?
The InChIKey is IKFZABILOXSNSM-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.C4H11NO/c6-3(5(9)10)1-2-4(7)8;1-5(2)3-4-6/h3H,1-2,6H2,(H,7,8)(H,9,10);6H,3-4H2,1-2H3/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol?
(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol has a molecular weight of 236.27 g/mol, XLogP of -1.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol is sourced from PubChem (CID 23619747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).