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

C12H23N3O7 — CID 87087959

IUPAC(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid
SMILESC[C@@H](O)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C12H23N3O7/c1-4(16)7(13)11(19)22-6(3)9(15)12(20)21-5(2)8(14)10(17)18/h4-9,16H,13-15H2,1-3H3,(H,17,18)/t4-,5-,6-,7+,8+,9+/m1/s1
InChIKeyGCFAXSJJQRHDKN-NUJDXYNKSA-N
MW321.33 g/mol
LogP-2.70
Rot. Bonds8

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

(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid (PubChem CID 87087959) has the molecular formula C12H23N3O7 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid
PubChem CID87087959
Molecular FormulaC12H23N3O7
Molecular Weight321.33 g/mol
Exact Mass321.15
IUPAC Name(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid
SMILESC[C@@H](O)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C12H23N3O7/c1-4(16)7(13)11(19)22-6(3)9(15)12(20)21-5(2)8(14)10(17)18/h4-9,16H,13-15H2,1-3H3,(H,17,18)/t4-,5-,6-,7+,8+,9+/m1/s1
InChIKeyGCFAXSJJQRHDKN-NUJDXYNKSA-N
XLogP-2.70
TPSA188.19 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-2.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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

Launch Full Analysis

Related Compounds

(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid
CID 54372856
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S)-3-acetyloxy-2-aminobutanoic acid
CID 87141229
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
(2S,3R)-2-amino-3-hydroperoxybutanoic acid
CID 87435001
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
CID 87185843
CID 87185843
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314
potassium;sodium;2-amino-3-hydroxybutanoic acid;hydride
CID 175449231

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid (CID 87087959) is (2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid is C[C@@H](O)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid?
The InChIKey is GCFAXSJJQRHDKN-NUJDXYNKSA-N. The full InChI is InChI=1S/C12H23N3O7/c1-4(16)7(13)11(19)22-6(3)9(15)12(20)21-5(2)8(14)10(17)18/h4-9,16H,13-15H2,1-3H3,(H,17,18)/t4-,5-,6-,7+,8+,9+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid?
(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid has a molecular weight of 321.33 g/mol, XLogP of -2.70, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid is sourced from PubChem (CID 87087959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).