2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid

C15H20N2O5S — CID 10688512

IUPAC2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(NS(=O)(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C15H20N2O5S/c18-14(19)11-17-9-4-7-13(15(17)20)16-23(21,22)10-8-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2,(H,18,19)
InChIKeyVRFJVPVEYFAAPN-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.22
Rot. Bonds7

About 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid

2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid (PubChem CID 10688512) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid
PubChem CID10688512
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(NS(=O)(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C15H20N2O5S/c18-14(19)11-17-9-4-7-13(15(17)20)16-23(21,22)10-8-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2,(H,18,19)
InChIKeyVRFJVPVEYFAAPN-UHFFFAOYSA-N
XLogP0.22
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23322524
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N-[(4-aminocyclohexyl)methyl]-2-[3-(benzylsulfonylamino)-2-oxoazepan-1-yl]acetamide
CID 22985418
2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid
CID 70269620
2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 59056535
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 20580878
2-[3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-oxoazepan-1-yl]acetic acid
CID 138056043
2-(2-oxo-3-phenylpiperidin-1-yl)acetic acid
CID 67358702
N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]-2-[3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]acetamide
CID 54386503
N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide
CID 47083121
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 94799079
2-[3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]acetamide
CID 73195488

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid (CID 10688512) is 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid is O=C(O)CN1CCCC(NS(=O)(=O)CCc2ccccc2)C1=O.
What is the InChIKey of 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid?
The InChIKey is VRFJVPVEYFAAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c18-14(19)11-17-9-4-7-13(15(17)20)16-23(21,22)10-8-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2,(H,18,19).
What are the key properties of 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid?
2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid has a molecular weight of 340.40 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 10688512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).