4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid

C15H21N3O7S — CID 66870567

IUPAC4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid
SMILESCOC(=O)C(CNS(=O)(=O)c1ccc(O)cc1)N1CCN(C(=O)O)CC1
InChIInChI=1S/C15H21N3O7S/c1-25-14(20)13(17-6-8-18(9-7-17)15(21)22)10-16-26(23,24)12-4-2-11(19)3-5-12/h2-5,13,16,19H,6-10H2,1H3,(H,21,22)
InChIKeyWKAUSNLJRZLABX-UHFFFAOYSA-N
MW387.41 g/mol
LogP-0.49
Rot. Bonds6

About 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid

4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid (PubChem CID 66870567) has the molecular formula C15H21N3O7S and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid
PubChem CID66870567
Molecular FormulaC15H21N3O7S
Molecular Weight387.41 g/mol
Exact Mass387.11
IUPAC Name4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid
SMILESCOC(=O)C(CNS(=O)(=O)c1ccc(O)cc1)N1CCN(C(=O)O)CC1
InChIInChI=1S/C15H21N3O7S/c1-25-14(20)13(17-6-8-18(9-7-17)15(21)22)10-16-26(23,24)12-4-2-11(19)3-5-12/h2-5,13,16,19H,6-10H2,1H3,(H,21,22)
InChIKeyWKAUSNLJRZLABX-UHFFFAOYSA-N
XLogP-0.49
TPSA136.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate
CID 67494614
3-[(4-hydroxyphenyl)sulfonylamino]-2-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 66870713
benzyl 4-[(2S)-1-methoxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 71115316
methyl (2S)-3-[(4-but-2-ynoxyphenyl)sulfonylamino]-2-(4-methylsulfonylpiperazin-1-yl)propanoate
CID 86675012
methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate
CID 67494631
methyl 3-[[4-(naphthalen-2-ylmethoxy)phenyl]sulfonylamino]-2-piperidin-1-ylpropanoate
CID 67494924
methyl (2S)-2-(4-methylsulfonylpiperazin-1-yl)-3-[[4-[(2-phenyl-4-pyridinyl)methoxy]phenyl]sulfonylamino]propanoate
CID 86675020
methyl (2S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-(4-prop-1-en-2-ylsulfonylpiperazin-1-yl)propanoate
CID 86715688
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
CID 103878746
methyl 2-bromo-3-[(4-bromophenyl)sulfonylamino]propanoate
CID 103493729
4-[2-methoxy-1-[(4-nitrophenyl)sulfonylamino]-2-oxoethyl]piperidine-1-carboxylic acid
CID 139969284

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid (CID 66870567) is 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid is COC(=O)C(CNS(=O)(=O)c1ccc(O)cc1)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid?
The InChIKey is WKAUSNLJRZLABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O7S/c1-25-14(20)13(17-6-8-18(9-7-17)15(21)22)10-16-26(23,24)12-4-2-11(19)3-5-12/h2-5,13,16,19H,6-10H2,1H3,(H,21,22).
What are the key properties of 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid?
4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid has a molecular weight of 387.41 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 66870567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).