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

C9H15NO5S — CID 65442530

IUPAC2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESCC(C(N)=O)S(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C9H15NO5S/c1-6(8(10)13)16(14,15)5-9(2-3-9)4-7(11)12/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyZIGWVBPNCJRSLC-UHFFFAOYSA-N
MW249.29 g/mol
LogP-0.47
Rot. Bonds6

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

2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid (PubChem CID 65442530) has the molecular formula C9H15NO5S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid
PubChem CID65442530
Molecular FormulaC9H15NO5S
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC Name2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESCC(C(N)=O)S(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C9H15NO5S/c1-6(8(10)13)16(14,15)5-9(2-3-9)4-7(11)12/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyZIGWVBPNCJRSLC-UHFFFAOYSA-N
XLogP-0.47
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid (CID 65442530) is 2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid is CC(C(N)=O)S(=O)(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid?
The InChIKey is ZIGWVBPNCJRSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5S/c1-6(8(10)13)16(14,15)5-9(2-3-9)4-7(11)12/h6H,2-5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid?
2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid has a molecular weight of 249.29 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).