(2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid

C6H13NO5S — CID 152509523

IUPAC(2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid
SMILESCC([C@H](C)[C@H](N)C(=O)O)S(=O)(=O)O
InChIInChI=1S/C6H13NO5S/c1-3(5(7)6(8)9)4(2)13(10,11)12/h3-5H,7H2,1-2H3,(H,8,9)(H,10,11,12)/t3-,4?,5-/m0/s1
InChIKeyYFEMGFJEWMTGPD-DSDZBIDZSA-N
MW211.24 g/mol
LogP-0.69
Rot. Bonds4

About (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid

(2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid (PubChem CID 152509523) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid
PubChem CID152509523
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Name(2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid
SMILESCC([C@H](C)[C@H](N)C(=O)O)S(=O)(=O)O
InChIInChI=1S/C6H13NO5S/c1-3(5(7)6(8)9)4(2)13(10,11)12/h3-5H,7H2,1-2H3,(H,8,9)(H,10,11,12)/t3-,4?,5-/m0/s1
InChIKeyYFEMGFJEWMTGPD-DSDZBIDZSA-N
XLogP-0.69
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-amino-3,4-dimethylpentanoic acid
CID 87919550
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
2-amino-3,3-disulfopropanoic acid
CID 175428121
(2S,3S)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 55283948
(2S)-2-aminopropanoic acid;sulfuric acid
CID 56932726
(2S,3R)-3-aminobutane-2-sulfonic acid
CID 123572619
silver 2-amino-3-methylbutanoic acid
CID 19021116
(3S)-2-amino-3-sulfanylbutanoic acid
CID 118648902
(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid
CID 54362580
2-amino-3-methylpentanoic acid;sulfuric acid
CID 87083473
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
magnesium;2-amino-3-methylbutanoic acid;sulfate
CID 87981474

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid (CID 152509523) is (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid is CC([C@H](C)[C@H](N)C(=O)O)S(=O)(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid?
The InChIKey is YFEMGFJEWMTGPD-DSDZBIDZSA-N. The full InChI is InChI=1S/C6H13NO5S/c1-3(5(7)6(8)9)4(2)13(10,11)12/h3-5H,7H2,1-2H3,(H,8,9)(H,10,11,12)/t3-,4?,5-/m0/s1.
What are the key properties of (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid?
(2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid has a molecular weight of 211.24 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-methyl-4-sulfopentanoic acid is sourced from PubChem (CID 152509523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).