(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid

C10H23N3O8 — CID 87194816

About (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid

(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid (PubChem CID 87194816) has the molecular formula C10H23N3O8 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid.

Molecular Properties

• Compound Name: (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid
• PubChem CID: 87194816
• Molecular Formula: C10H23N3O8
• Molecular Weight: 313.31 g/mol
• Exact Mass: 313.15
• IUPAC Name: (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid
• SMILES: C[C@@H](O)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O
• InChI: InChI=1S/C4H9NO3.C3H7NO3.C3H7NO2/c1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;1-2(4)3(5)6/h2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2H,4H2,1H3,(H,5,6)/t2-,3+;2*2-/m100/s1
• InChIKey: KOMJOPOEMDARGP-NSAXVULPSA-N
• XLogP: -3.41
• TPSA: 230.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	313.31
LogP ≤ 5	-3.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid?

The IUPAC name of (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid (CID 87194816) is (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid.

What is the SMILES notation for (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid?

The canonical SMILES for (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid is C[C@@H](O)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.

What is the InChIKey of (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid?

The InChIKey is KOMJOPOEMDARGP-NSAXVULPSA-N. The full InChI is InChI=1S/C4H9NO3.C3H7NO3.C3H7NO2/c1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;1-2(4)3(5)6/h2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2H,4H2,1H3,(H,5,6)/t2-,3+;2*2-/m100/s1.

What are the key properties of (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid?

(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid has a molecular weight of 313.31 g/mol, XLogP of -3.41, 5 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid is sourced from PubChem (CID 87194816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).