2-aminoethanol;2,3-dihydroxybutanedioic acid

C6H13NO7 — CID 19348894

IUPAC2-aminoethanol;2,3-dihydroxybutanedioic acid
SMILESNCCO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.C2H7NO/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);4H,1-3H2
InChIKeyRIAWEWHXZJUMCO-UHFFFAOYSA-N
MW211.17 g/mol
LogP-3.19
Rot. Bonds4

About 2-aminoethanol;2,3-dihydroxybutanedioic acid

2-aminoethanol;2,3-dihydroxybutanedioic acid (PubChem CID 19348894) has the molecular formula C6H13NO7 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-aminoethanol;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name2-aminoethanol;2,3-dihydroxybutanedioic acid
PubChem CID19348894
Molecular FormulaC6H13NO7
Molecular Weight211.17 g/mol
Exact Mass211.07
IUPAC Name2-aminoethanol;2,3-dihydroxybutanedioic acid
SMILESNCCO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.C2H7NO/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);4H,1-3H2
InChIKeyRIAWEWHXZJUMCO-UHFFFAOYSA-N
XLogP-3.19
TPSA161.31 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.17
LogP ≤ 5-3.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

Cysteamine Bitartrate
CID 11958147
DL-threo-beta-Hydroxyaspartic acid
CID 443239
3-Hydroxyaspartic acid
CID 5425
Ethylenediamine tartrate
CID 18387012
(Mercaptoethyl)ammonium hydrogen tartrate
CID 23111531
4-Hydroxy-L-threonine
CID 193577
beta-Hydroxy-L-aspartic acid
CID 14463
L-erythro-3-hydroxyaspartate
CID 28125549
2-Amino-3,4-dihydroxybutanoic acid
CID 3914727
(3S)-3-hydroxy-D-aspartic acid
CID 6603868
(3S)-2-amino-3-hydroxybutanedioic acid
CID 16760021
(3R)-3-hydroxy-D-aspartic acid
CID 11788378

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2,3-dihydroxybutanedioic acid?
The IUPAC name of 2-aminoethanol;2,3-dihydroxybutanedioic acid (CID 19348894) is 2-aminoethanol;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for 2-aminoethanol;2,3-dihydroxybutanedioic acid?
The canonical SMILES for 2-aminoethanol;2,3-dihydroxybutanedioic acid is NCCO.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2-aminoethanol;2,3-dihydroxybutanedioic acid?
The InChIKey is RIAWEWHXZJUMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.C2H7NO/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);4H,1-3H2.
What are the key properties of 2-aminoethanol;2,3-dihydroxybutanedioic acid?
2-aminoethanol;2,3-dihydroxybutanedioic acid has a molecular weight of 211.17 g/mol, XLogP of -3.19, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 19348894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).