(2R,3S)-2-amino-3-hydroxybutanedioic acid

C4H7NO5 — CID 6603868

IUPAC(2R,3S)-2-amino-3-hydroxybutanedioic acid
SMILESN[C@@H](C(=O)O)[C@H](O)C(=O)O
InChIInChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m1/s1
InChIKeyYYLQUHNPNCGKJQ-NCGGTJAESA-N
MW149.10 g/mol
LogP-2.16
Rot. Bonds3

About (2R,3S)-2-amino-3-hydroxybutanedioic acid

(2R,3S)-2-amino-3-hydroxybutanedioic acid (PubChem CID 6603868) has the molecular formula C4H7NO5 and a molecular weight of 149.10 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-hydroxybutanedioic acid.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-hydroxybutanedioic acid
PubChem CID6603868
Molecular FormulaC4H7NO5
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Name(2R,3S)-2-amino-3-hydroxybutanedioic acid
SMILESN[C@@H](C(=O)O)[C@H](O)C(=O)O
InChIInChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m1/s1
InChIKeyYYLQUHNPNCGKJQ-NCGGTJAESA-N
XLogP-2.16
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-hydroxybutanedioic acid?
The IUPAC name of (2R,3S)-2-amino-3-hydroxybutanedioic acid (CID 6603868) is (2R,3S)-2-amino-3-hydroxybutanedioic acid.
What is the SMILES notation for (2R,3S)-2-amino-3-hydroxybutanedioic acid?
The canonical SMILES for (2R,3S)-2-amino-3-hydroxybutanedioic acid is N[C@@H](C(=O)O)[C@H](O)C(=O)O.
What is the InChIKey of (2R,3S)-2-amino-3-hydroxybutanedioic acid?
The InChIKey is YYLQUHNPNCGKJQ-NCGGTJAESA-N. The full InChI is InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m1/s1.
What are the key properties of (2R,3S)-2-amino-3-hydroxybutanedioic acid?
(2R,3S)-2-amino-3-hydroxybutanedioic acid has a molecular weight of 149.10 g/mol, XLogP of -2.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-hydroxybutanedioic acid is sourced from PubChem (CID 6603868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).