2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid

C10H17NO5S — CID 20848641

IUPAC2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid
SMILESCS(=O)(=O)CCC(C(=O)O)N(C=O)C1CCC1
InChIInChI=1S/C10H17NO5S/c1-17(15,16)6-5-9(10(13)14)11(7-12)8-3-2-4-8/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyNUEGVWXASOFJEX-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.11
Rot. Bonds7

About 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid

2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid (PubChem CID 20848641) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid.

Molecular Properties

Compound Name2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid
PubChem CID20848641
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid
SMILESCS(=O)(=O)CCC(C(=O)O)N(C=O)C1CCC1
InChIInChI=1S/C10H17NO5S/c1-17(15,16)6-5-9(10(13)14)11(7-12)8-3-2-4-8/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyNUEGVWXASOFJEX-UHFFFAOYSA-N
XLogP-0.11
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid?
The IUPAC name of 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid (CID 20848641) is 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid.
What is the SMILES notation for 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid?
The canonical SMILES for 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid is CS(=O)(=O)CCC(C(=O)O)N(C=O)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid?
The InChIKey is NUEGVWXASOFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-17(15,16)6-5-9(10(13)14)11(7-12)8-3-2-4-8/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid?
2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid has a molecular weight of 263.31 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(formyl)amino]-4-methylsulfonylbutanoic acid is sourced from PubChem (CID 20848641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).