2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid

C11H20N2O5S — CID 62697454

IUPAC2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O5S/c1-3-6-19(17,18)13-7(2)10(14)12-9(11(15)16)8-4-5-8/h7-9,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyVZFIVPJNWDJBMX-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.32
Rot. Bonds8

About 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid

2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid (PubChem CID 62697454) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
PubChem CID62697454
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O5S/c1-3-6-19(17,18)13-7(2)10(14)12-9(11(15)16)8-4-5-8/h7-9,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyVZFIVPJNWDJBMX-UHFFFAOYSA-N
XLogP-0.32
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43354101
2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
CID 62695331
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
(2S)-2-[2-(propylsulfonylamino)propanoylamino]pentanedioic acid
CID 61153628
2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
CID 112744946
2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid
CID 120521237
4-methylsulfanyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43170236
2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814769
2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid
CID 104936044
(2S)-2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoic acid
CID 107833554
2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid
CID 115283908
N-cyclopentyloxy-2-(propylsulfonylamino)propanamide
CID 83206638

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid (CID 62697454) is 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid is CCCS(=O)(=O)NC(C)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid?
The InChIKey is VZFIVPJNWDJBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-3-6-19(17,18)13-7(2)10(14)12-9(11(15)16)8-4-5-8/h7-9,13H,3-6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid?
2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid has a molecular weight of 292.36 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid is sourced from PubChem (CID 62697454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).