(2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid

C5H11NO4 — CID 55288577

IUPAC(2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid
SMILESC[C@](O)(CN)[C@H](O)C(=O)O
InChIInChI=1S/C5H11NO4/c1-5(10,2-6)3(7)4(8)9/h3,7,10H,2,6H2,1H3,(H,8,9)/t3-,5+/m1/s1
InChIKeyPHDZURAOZBRVMD-WUJLRWPWSA-N
MW149.15 g/mol
LogP-1.86
Rot. Bonds3

About (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid

(2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid (PubChem CID 55288577) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid
PubChem CID55288577
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid
SMILESC[C@](O)(CN)[C@H](O)C(=O)O
InChIInChI=1S/C5H11NO4/c1-5(10,2-6)3(7)4(8)9/h3,7,10H,2,6H2,1H3,(H,8,9)/t3-,5+/m1/s1
InChIKeyPHDZURAOZBRVMD-WUJLRWPWSA-N
XLogP-1.86
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid?
The IUPAC name of (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid (CID 55288577) is (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid.
What is the SMILES notation for (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid?
The canonical SMILES for (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid is C[C@](O)(CN)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid?
The InChIKey is PHDZURAOZBRVMD-WUJLRWPWSA-N. The full InChI is InChI=1S/C5H11NO4/c1-5(10,2-6)3(7)4(8)9/h3,7,10H,2,6H2,1H3,(H,8,9)/t3-,5+/m1/s1.
What are the key properties of (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid?
(2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid has a molecular weight of 149.15 g/mol, XLogP of -1.86, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid is sourced from PubChem (CID 55288577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).