3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid

C10H19N3O6S — CID 62965170

IUPAC3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H19N3O6S/c1-7(6-9(15)16)5-8(14)13-10(17)12-3-2-4-20(11,18)19/h7H,2-6H2,1H3,(H,15,16)(H2,11,18,19)(H2,12,13,14,17)
InChIKeySDBOLDUYAZBDSC-UHFFFAOYSA-N
MW309.34 g/mol
LogP-1.01
Rot. Bonds8

About 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid

3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid (PubChem CID 62965170) has the molecular formula C10H19N3O6S and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
PubChem CID62965170
Molecular FormulaC10H19N3O6S
Molecular Weight309.34 g/mol
Exact Mass309.10
IUPAC Name3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H19N3O6S/c1-7(6-9(15)16)5-8(14)13-10(17)12-3-2-4-20(11,18)19/h7H,2-6H2,1H3,(H,15,16)(H2,11,18,19)(H2,12,13,14,17)
InChIKeySDBOLDUYAZBDSC-UHFFFAOYSA-N
XLogP-1.01
TPSA155.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-oxo-5-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222413
5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid
CID 82848425
3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid
CID 62965171
5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62965871
(2S,3R)-3-hydroxy-2-(3-sulfamoylpropylcarbamoylamino)butanoic acid
CID 104966135
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 113441245
3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79360156
2-methyl-6-(3-sulfamoylpropylcarbamoylamino)heptanoic acid
CID 65287573
4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 43552577
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid (CID 62965170) is 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid?
The InChIKey is SDBOLDUYAZBDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O6S/c1-7(6-9(15)16)5-8(14)13-10(17)12-3-2-4-20(11,18)19/h7H,2-6H2,1H3,(H,15,16)(H2,11,18,19)(H2,12,13,14,17).
What are the key properties of 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid?
3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid has a molecular weight of 309.34 g/mol, XLogP of -1.01, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 62965170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).