2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid

C8H15NO5S — CID 105360687

IUPAC2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H15NO5S/c10-5-7(8(11)12)9-15(13,14)6-3-1-2-4-6/h6-7,9-10H,1-5H2,(H,11,12)
InChIKeyYKUYWWOQKXROEX-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.71
Rot. Bonds5

About 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid

2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid (PubChem CID 105360687) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
PubChem CID105360687
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H15NO5S/c10-5-7(8(11)12)9-15(13,14)6-3-1-2-4-6/h6-7,9-10H,1-5H2,(H,11,12)
InChIKeyYKUYWWOQKXROEX-UHFFFAOYSA-N
XLogP-0.71
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
(2S)-2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61145252
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005100
(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 107823923
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid
CID 104933880
2-[(1,1-dioxothian-4-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 62085300
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid (CID 105360687) is 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid is O=C(O)C(CO)NS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid?
The InChIKey is YKUYWWOQKXROEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c10-5-7(8(11)12)9-15(13,14)6-3-1-2-4-6/h6-7,9-10H,1-5H2,(H,11,12).
What are the key properties of 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid?
2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 105360687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).