methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate

C10H18N2O5S — CID 107776547

IUPACmethyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CC(N)C(N)=O)CC1
InChIInChI=1S/C10H18N2O5S/c1-17-8(13)4-10(2-3-10)6-18(15,16)5-7(11)9(12)14/h7H,2-6,11H2,1H3,(H2,12,14)
InChIKeyAFVYXHACUAAXEP-UHFFFAOYSA-N
MW278.33 g/mol
LogP-1.44
Rot. Bonds7

About methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate

methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate (PubChem CID 107776547) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate
PubChem CID107776547
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Namemethyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CC(N)C(N)=O)CC1
InChIInChI=1S/C10H18N2O5S/c1-17-8(13)4-10(2-3-10)6-18(15,16)5-7(11)9(12)14/h7H,2-6,11H2,1H3,(H2,12,14)
InChIKeyAFVYXHACUAAXEP-UHFFFAOYSA-N
XLogP-1.44
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate 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 methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate (CID 107776547) is methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)CC(N)C(N)=O)CC1.
What is the InChIKey of methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate?
The InChIKey is AFVYXHACUAAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-17-8(13)4-10(2-3-10)6-18(15,16)5-7(11)9(12)14/h7H,2-6,11H2,1H3,(H2,12,14).
What are the key properties of methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate has a molecular weight of 278.33 g/mol, XLogP of -1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2,3-diamino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107776547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).