(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid

C11H20N2O7S — CID 104935936

IUPAC(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCCOC(=O)C1CCN(S(=O)(=O)NC[C@H](O)C(=O)O)CC1
InChIInChI=1S/C11H20N2O7S/c1-2-20-11(17)8-3-5-13(6-4-8)21(18,19)12-7-9(14)10(15)16/h8-9,12,14H,2-7H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyUGEQQZTVQVLKLK-VIFPVBQESA-N
MW324.36 g/mol
LogP-1.46
Rot. Bonds7

About (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid

(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 104935936) has the molecular formula C11H20N2O7S and a molecular weight of 324.36 g/mol. Its IUPAC name is (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID104935936
Molecular FormulaC11H20N2O7S
Molecular Weight324.36 g/mol
Exact Mass324.10
IUPAC Name(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCCOC(=O)C1CCN(S(=O)(=O)NC[C@H](O)C(=O)O)CC1
InChIInChI=1S/C11H20N2O7S/c1-2-20-11(17)8-3-5-13(6-4-8)21(18,19)12-7-9(14)10(15)16/h8-9,12,14H,2-7H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyUGEQQZTVQVLKLK-VIFPVBQESA-N
XLogP-1.46
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107216371
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
CID 64541717
ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352876
ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 115753944
ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate
CID 62498446
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
CID 104982617

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid (CID 104935936) is (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid is CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](O)C(=O)O)CC1.
What is the InChIKey of (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is UGEQQZTVQVLKLK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O7S/c1-2-20-11(17)8-3-5-13(6-4-8)21(18,19)12-7-9(14)10(15)16/h8-9,12,14H,2-7H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid?
(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 324.36 g/mol, XLogP of -1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 104935936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).