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

C8H14N2O6 — CID 7016067

IUPAC(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O6/c1-3(11)6(9)7(14)10-4(8(15)16)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)/t3-,4+,6+/m1/s1
InChIKeyIOWJRKAVLALBQB-IWGUZYHVSA-N
MW234.21 g/mol
LogP-2.26
Rot. Bonds6

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

(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid (PubChem CID 7016067) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid
PubChem CID7016067
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O6/c1-3(11)6(9)7(14)10-4(8(15)16)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)/t3-,4+,6+/m1/s1
InChIKeyIOWJRKAVLALBQB-IWGUZYHVSA-N
XLogP-2.26
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-2.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid?
The IUPAC name of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid (CID 7016067) is (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid.
What is the SMILES notation for (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid?
The canonical SMILES for (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid is C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid?
The InChIKey is IOWJRKAVLALBQB-IWGUZYHVSA-N. The full InChI is InChI=1S/C8H14N2O6/c1-3(11)6(9)7(14)10-4(8(15)16)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)/t3-,4+,6+/m1/s1.
What are the key properties of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid?
(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid has a molecular weight of 234.21 g/mol, XLogP of -2.26, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanedioic acid is sourced from PubChem (CID 7016067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).