diethyl (2R,3R)-2-amino-3-hydroxybutanedioate

C8H15NO5 — CID 10632043

IUPACdiethyl (2R,3R)-2-amino-3-hydroxybutanedioate
SMILESCCOC(=O)[C@H](N)[C@@H](O)C(=O)OCC
InChIInChI=1S/C8H15NO5/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,10H,3-4,9H2,1-2H3/t5-,6-/m1/s1
InChIKeyWFZRGMCRULKCOB-PHDIDXHHSA-N
MW205.21 g/mol
LogP-1.20
Rot. Bonds5

About diethyl (2R,3R)-2-amino-3-hydroxybutanedioate

diethyl (2R,3R)-2-amino-3-hydroxybutanedioate (PubChem CID 10632043) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is diethyl (2R,3R)-2-amino-3-hydroxybutanedioate.

Molecular Properties

Compound Namediethyl (2R,3R)-2-amino-3-hydroxybutanedioate
PubChem CID10632043
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Namediethyl (2R,3R)-2-amino-3-hydroxybutanedioate
SMILESCCOC(=O)[C@H](N)[C@@H](O)C(=O)OCC
InChIInChI=1S/C8H15NO5/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,10H,3-4,9H2,1-2H3/t5-,6-/m1/s1
InChIKeyWFZRGMCRULKCOB-PHDIDXHHSA-N
XLogP-1.20
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3R)-2-amino-3-hydroxybutanedioate?
The IUPAC name of diethyl (2R,3R)-2-amino-3-hydroxybutanedioate (CID 10632043) is diethyl (2R,3R)-2-amino-3-hydroxybutanedioate.
What is the SMILES notation for diethyl (2R,3R)-2-amino-3-hydroxybutanedioate?
The canonical SMILES for diethyl (2R,3R)-2-amino-3-hydroxybutanedioate is CCOC(=O)[C@H](N)[C@@H](O)C(=O)OCC.
What is the InChIKey of diethyl (2R,3R)-2-amino-3-hydroxybutanedioate?
The InChIKey is WFZRGMCRULKCOB-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H15NO5/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,10H,3-4,9H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of diethyl (2R,3R)-2-amino-3-hydroxybutanedioate?
diethyl (2R,3R)-2-amino-3-hydroxybutanedioate has a molecular weight of 205.21 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3R)-2-amino-3-hydroxybutanedioate is sourced from PubChem (CID 10632043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).