(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid

C11H19NO6S — CID 114005100

IUPAC(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO6S/c1-18-10(13)7-6-9(11(14)15)12-19(16,17)8-4-2-3-5-8/h8-9,12H,2-7H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyUSSINJRCZDKNHE-SECBINFHSA-N
MW293.34 g/mol
LogP0.25
Rot. Bonds7

About (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid

(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid (PubChem CID 114005100) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
PubChem CID114005100
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO6S/c1-18-10(13)7-6-9(11(14)15)12-19(16,17)8-4-2-3-5-8/h8-9,12H,2-7H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyUSSINJRCZDKNHE-SECBINFHSA-N
XLogP0.25
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 107823923
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878
2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114806990
2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
CID 105360687
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
(2S)-5-methoxy-2-(methoxycarbonylsulfamoylamino)-5-oxopentanoic acid
CID 114005093
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid (CID 114005100) is (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NS(=O)(=O)C1CCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
The InChIKey is USSINJRCZDKNHE-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-18-10(13)7-6-9(11(14)15)12-19(16,17)8-4-2-3-5-8/h8-9,12H,2-7H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid has a molecular weight of 293.34 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 114005100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).