(2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid

C7H13NO5S — CID 88995563

IUPAC(2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid
SMILESC[C@@](CC/C=N\O)(C(=O)O)S(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-7(6(9)10,14(2,12)13)4-3-5-8-11/h5,11H,3-4H2,1-2H3,(H,9,10)/b8-5-/t7-/m1/s1
InChIKeyXMMVPQQTKUCDFH-BESBCXERSA-N
MW223.25 g/mol
LogP0.11
Rot. Bonds5

About (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid

(2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid (PubChem CID 88995563) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid.

Molecular Properties

Compound Name(2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid
PubChem CID88995563
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name(2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid
SMILESC[C@@](CC/C=N\O)(C(=O)O)S(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-7(6(9)10,14(2,12)13)4-3-5-8-11/h5,11H,3-4H2,1-2H3,(H,9,10)/b8-5-/t7-/m1/s1
InChIKeyXMMVPQQTKUCDFH-BESBCXERSA-N
XLogP0.11
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid
CID 121392972
ethyl (2R)-2-methyl-2-methylsulfonyl-5-oxopentanoate
CID 71477709
N-hydroxy-2-methyl-2-methylsulfonylpentanamide
CID 155407178
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
N-(12-hydroxyiminododecylidene)hydroxylamine
CID 131876535
2-bromo-2-methylhept-6-enoic acid
CID 14195750
2,2-dimethyl-7-oxoheptanoic acid
CID 150937186
(2R)-2-methyl-2-methylsulfonyl-4-(4-phenylpyrazol-1-yl)butanoic acid
CID 70817707
2,2-bis(methylsulfonyl)propanedioic acid
CID 87228064
3-amino-2-methyl-2-sulfopropanoic acid
CID 20561416
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099

Frequently Asked Questions

What is the IUPAC name of (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid?
The IUPAC name of (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid (CID 88995563) is (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid.
What is the SMILES notation for (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid?
The canonical SMILES for (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid is C[C@@](CC/C=N\O)(C(=O)O)S(C)(=O)=O.
What is the InChIKey of (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid?
The InChIKey is XMMVPQQTKUCDFH-BESBCXERSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-7(6(9)10,14(2,12)13)4-3-5-8-11/h5,11H,3-4H2,1-2H3,(H,9,10)/b8-5-/t7-/m1/s1.
What are the key properties of (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid?
(2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid has a molecular weight of 223.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid is sourced from PubChem (CID 88995563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).