4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid

C9H18N2O6S — CID 114462709

IUPAC4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
SMILESCC(CCC(=O)O)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H18N2O6S/c1-6(2)17-9(14)11-18(15,16)10-7(3)4-5-8(12)13/h6-7,10H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyHGRURMQCECGCJZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.21
Rot. Bonds7

About 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid

4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid (PubChem CID 114462709) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
PubChem CID114462709
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Name4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
SMILESCC(CCC(=O)O)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H18N2O6S/c1-6(2)17-9(14)11-18(15,16)10-7(3)4-5-8(12)13/h6-7,10H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyHGRURMQCECGCJZ-UHFFFAOYSA-N
XLogP0.21
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid?
The IUPAC name of 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid (CID 114462709) is 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid.
What is the SMILES notation for 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid?
The canonical SMILES for 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid is CC(CCC(=O)O)NS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid?
The InChIKey is HGRURMQCECGCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-6(2)17-9(14)11-18(15,16)10-7(3)4-5-8(12)13/h6-7,10H,4-5H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid?
4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid has a molecular weight of 282.32 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 114462709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).