2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid

C8H13NO5S — CID 65444323

IUPAC2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESNC(=O)CS(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C8H13NO5S/c9-6(10)4-15(13,14)5-8(1-2-8)3-7(11)12/h1-5H2,(H2,9,10)(H,11,12)
InChIKeyCSHMSKHZOLIMHK-UHFFFAOYSA-N
MW235.26 g/mol
LogP-0.86
Rot. Bonds6

About 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid

2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid (PubChem CID 65444323) has the molecular formula C8H13NO5S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid
PubChem CID65444323
Molecular FormulaC8H13NO5S
Molecular Weight235.26 g/mol
Exact Mass235.05
IUPAC Name2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESNC(=O)CS(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C8H13NO5S/c9-6(10)4-15(13,14)5-8(1-2-8)3-7(11)12/h1-5H2,(H2,9,10)(H,11,12)
InChIKeyCSHMSKHZOLIMHK-UHFFFAOYSA-N
XLogP-0.86
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid (CID 65444323) is 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid is NC(=O)CS(=O)(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid?
The InChIKey is CSHMSKHZOLIMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5S/c9-6(10)4-15(13,14)5-8(1-2-8)3-7(11)12/h1-5H2,(H2,9,10)(H,11,12).
What are the key properties of 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid?
2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid has a molecular weight of 235.26 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65444323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).