4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid

C7H13N3O6S — CID 43552577

IUPAC4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
SMILESNS(=O)(=O)CCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C7H13N3O6S/c8-17(15,16)4-3-9-7(14)10-5(11)1-2-6(12)13/h1-4H2,(H,12,13)(H2,8,15,16)(H2,9,10,11,14)
InChIKeyQAPUIQMNRPRGMA-UHFFFAOYSA-N
MW267.26 g/mol
LogP-2.03
Rot. Bonds6

About 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid

4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid (PubChem CID 43552577) has the molecular formula C7H13N3O6S and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
PubChem CID43552577
Molecular FormulaC7H13N3O6S
Molecular Weight267.26 g/mol
Exact Mass267.05
IUPAC Name4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
SMILESNS(=O)(=O)CCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C7H13N3O6S/c8-17(15,16)4-3-9-7(14)10-5(11)1-2-6(12)13/h1-4H2,(H,12,13)(H2,8,15,16)(H2,9,10,11,14)
InChIKeyQAPUIQMNRPRGMA-UHFFFAOYSA-N
XLogP-2.03
TPSA155.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106340043
2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 65300232
3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210
4-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-4-oxobutanoic acid
CID 28745891
3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 62965170
2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid
CID 79464472
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371
4-oxo-4-(pent-4-ynylcarbamoylamino)butanoic acid
CID 106222414
4-(2-sulfamoylethylamino)butanoic acid
CID 114385317
4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid
CID 104762323
4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid
CID 61166887
6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid
CID 106340011

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid (CID 43552577) is 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid is NS(=O)(=O)CCNC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The InChIKey is QAPUIQMNRPRGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O6S/c8-17(15,16)4-3-9-7(14)10-5(11)1-2-6(12)13/h1-4H2,(H,12,13)(H2,8,15,16)(H2,9,10,11,14).
What are the key properties of 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid has a molecular weight of 267.26 g/mol, XLogP of -2.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 43552577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).