(2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid

C8H16N2O5 — CID 54461039

IUPAC(2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid
SMILESC[C@@H](OC(=O)[C@@H](N)CCO)[C@H](N)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-4(6(10)7(12)13)15-8(14)5(9)2-3-11/h4-6,11H,2-3,9-10H2,1H3,(H,12,13)/t4-,5+,6+/m1/s1
InChIKeyXBQHJSZKFBJUJO-SRQIZXRXSA-N
MW220.22 g/mol
LogP-1.96
Rot. Bonds6

About (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid

(2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid (PubChem CID 54461039) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid
PubChem CID54461039
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name(2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid
SMILESC[C@@H](OC(=O)[C@@H](N)CCO)[C@H](N)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-4(6(10)7(12)13)15-8(14)5(9)2-3-11/h4-6,11H,2-3,9-10H2,1H3,(H,12,13)/t4-,5+,6+/m1/s1
InChIKeyXBQHJSZKFBJUJO-SRQIZXRXSA-N
XLogP-1.96
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid (CID 54461039) is (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid is C[C@@H](OC(=O)[C@@H](N)CCO)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid?
The InChIKey is XBQHJSZKFBJUJO-SRQIZXRXSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-4(6(10)7(12)13)15-8(14)5(9)2-3-11/h4-6,11H,2-3,9-10H2,1H3,(H,12,13)/t4-,5+,6+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid?
(2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid has a molecular weight of 220.22 g/mol, XLogP of -1.96, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(2S)-2-amino-4-hydroxybutanoyl]oxybutanoic acid is sourced from PubChem (CID 54461039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).