2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid

C12H20N2O5S — CID 61458277

IUPAC2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C12H20N2O5S/c1-8(12(16)17)20(18,19)14-6-4-10(5-7-14)13-11(15)9-2-3-9/h8-10H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyIWRFOMOYKKIAJO-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.22
Rot. Bonds5

About 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid

2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid (PubChem CID 61458277) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid
PubChem CID61458277
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C12H20N2O5S/c1-8(12(16)17)20(18,19)14-6-4-10(5-7-14)13-11(15)9-2-3-9/h8-10H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyIWRFOMOYKKIAJO-UHFFFAOYSA-N
XLogP-0.22
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid
CID 54947165
2-(azocan-1-ylsulfonyl)propanoic acid
CID 61454612
4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674300
2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 61457983
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid
CID 61457828
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3563261
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110871494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid?
The IUPAC name of 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid (CID 61458277) is 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid.
What is the SMILES notation for 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid?
The canonical SMILES for 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid?
The InChIKey is IWRFOMOYKKIAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-8(12(16)17)20(18,19)14-6-4-10(5-7-14)13-11(15)9-2-3-9/h8-10H,2-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid?
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid has a molecular weight of 304.37 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid is sourced from PubChem (CID 61458277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).