3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid

C14H19NO5S — CID 60718266

IUPAC3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid
SMILESCCOc1ccc(S(=O)(=O)N(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H19NO5S/c1-2-20-12-5-7-13(8-6-12)21(18,19)15(11-3-4-11)10-9-14(16)17/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyKPCHXKCEWLXXPA-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.71
Rot. Bonds8

About 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid

3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid (PubChem CID 60718266) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid
PubChem CID60718266
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid
SMILESCCOc1ccc(S(=O)(=O)N(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H19NO5S/c1-2-20-12-5-7-13(8-6-12)21(18,19)15(11-3-4-11)10-9-14(16)17/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyKPCHXKCEWLXXPA-UHFFFAOYSA-N
XLogP1.71
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonyl-propan-2-ylamino]propanoic acid
CID 60829835
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
2-[cyclopropylmethyl-[3-[(4-ethoxyphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071739
N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 51204434
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
N-cyclopentyl-4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788659
3-[(3-acetylphenyl)sulfonyl-cyclopropylamino]propanoic acid
CID 60718163
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338
2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
CID 122083066
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28548612

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid (CID 60718266) is 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid is CCOc1ccc(S(=O)(=O)N(CCC(=O)O)C2CC2)cc1.
What is the InChIKey of 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid?
The InChIKey is KPCHXKCEWLXXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-2-20-12-5-7-13(8-6-12)21(18,19)15(11-3-4-11)10-9-14(16)17/h5-8,11H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid?
3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 60718266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).