(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid

C12H21NO6S — CID 107823923

IUPAC(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NS(=O)(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO6S/c1-19-11(14)8-7-10(12(15)16)13-20(17,18)9-5-3-2-4-6-9/h9-10,13H,2-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeySBFIYXTZSGCIDM-JTQLQIEISA-N
MW307.37 g/mol
LogP0.64
Rot. Bonds7

About (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid

(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid (PubChem CID 107823923) has the molecular formula C12H21NO6S and a molecular weight of 307.37 g/mol. Its IUPAC name is (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid
PubChem CID107823923
Molecular FormulaC12H21NO6S
Molecular Weight307.37 g/mol
Exact Mass307.11
IUPAC Name(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NS(=O)(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO6S/c1-19-11(14)8-7-10(12(15)16)13-20(17,18)9-5-3-2-4-6-9/h9-10,13H,2-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeySBFIYXTZSGCIDM-JTQLQIEISA-N
XLogP0.64
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005100
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114806990
2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
CID 105360687
(2S)-5-methoxy-2-(methoxycarbonylsulfamoylamino)-5-oxopentanoic acid
CID 114005093
(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid (CID 107823923) is (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@H](NS(=O)(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
The InChIKey is SBFIYXTZSGCIDM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO6S/c1-19-11(14)8-7-10(12(15)16)13-20(17,18)9-5-3-2-4-6-9/h9-10,13H,2-8H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid has a molecular weight of 307.37 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107823923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).