2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid

C10H18N2O5S — CID 54945356

IUPAC2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid
SMILESNC(=O)CCS(=O)(=O)CCN(CC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O5S/c11-9(13)3-5-18(16,17)6-4-12(7-10(14)15)8-1-2-8/h8H,1-7H2,(H2,11,13)(H,14,15)
InChIKeyCDICMBYJYVAOIA-UHFFFAOYSA-N
MW278.33 g/mol
LogP-1.17
Rot. Bonds9

About 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid

2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid (PubChem CID 54945356) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid
PubChem CID54945356
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid
SMILESNC(=O)CCS(=O)(=O)CCN(CC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O5S/c11-9(13)3-5-18(16,17)6-4-12(7-10(14)15)8-1-2-8/h8H,1-7H2,(H2,11,13)(H,14,15)
InChIKeyCDICMBYJYVAOIA-UHFFFAOYSA-N
XLogP-1.17
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid (CID 54945356) is 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid is NC(=O)CCS(=O)(=O)CCN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid?
The InChIKey is CDICMBYJYVAOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c11-9(13)3-5-18(16,17)6-4-12(7-10(14)15)8-1-2-8/h8H,1-7H2,(H2,11,13)(H,14,15).
What are the key properties of 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid?
2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid has a molecular weight of 278.33 g/mol, XLogP of -1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 54945356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).