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

C11H19NO5S — CID 65442525

IUPAC2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
SMILESCCNC(=O)C(C)S(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO5S/c1-3-12-10(15)8(2)18(16,17)7-11(4-5-11)6-9(13)14/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyMYVSHAANGPYQFK-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.18
Rot. Bonds7

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

2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid (PubChem CID 65442525) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
PubChem CID65442525
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
SMILESCCNC(=O)C(C)S(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO5S/c1-3-12-10(15)8(2)18(16,17)7-11(4-5-11)6-9(13)14/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyMYVSHAANGPYQFK-UHFFFAOYSA-N
XLogP0.18
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid (CID 65442525) is 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid is CCNC(=O)C(C)S(=O)(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid?
The InChIKey is MYVSHAANGPYQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-3-12-10(15)8(2)18(16,17)7-11(4-5-11)6-9(13)14/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid?
2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid has a molecular weight of 277.34 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).