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

C10H21N3O5S — CID 113441245

IUPAC2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
SMILESCC(CCCNC(=O)NCCCS(N)(=O)=O)C(=O)O
InChIInChI=1S/C10H21N3O5S/c1-8(9(14)15)4-2-5-12-10(16)13-6-3-7-19(11,17)18/h8H,2-7H2,1H3,(H,14,15)(H2,11,17,18)(H2,12,13,16)
InChIKeyZGFXABBBEBZLSL-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.53
Rot. Bonds9

About 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid

2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid (PubChem CID 113441245) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
PubChem CID113441245
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
SMILESCC(CCCNC(=O)NCCCS(N)(=O)=O)C(=O)O
InChIInChI=1S/C10H21N3O5S/c1-8(9(14)15)4-2-5-12-10(16)13-6-3-7-19(11,17)18/h8H,2-7H2,1H3,(H,14,15)(H2,11,17,18)(H2,12,13,16)
InChIKeyZGFXABBBEBZLSL-UHFFFAOYSA-N
XLogP-0.53
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(3-sulfamoylpropylcarbamoylamino)heptanoic acid
CID 65287573
(2S,3R)-3-hydroxy-2-(3-sulfamoylpropylcarbamoylamino)butanoic acid
CID 104966135
2-methyl-6-(2-sulfamoylethylamino)heptanoic acid
CID 114385392
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
2-methoxy-3-(3-sulfamoylpropylcarbamoylamino)propanoic acid
CID 106110030
5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid
CID 82848425
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 104686069
2-methyl-5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]pentanoic acid
CID 104686919
4-[(4-amino-4-oxobutyl)carbamoylamino]-2-methylbutanoic acid
CID 80540555
2-methyl-5-(phenylcarbamoylamino)pentanoic acid
CID 113440698
3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 62965170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid (CID 113441245) is 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid is CC(CCCNC(=O)NCCCS(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid?
The InChIKey is ZGFXABBBEBZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-8(9(14)15)4-2-5-12-10(16)13-6-3-7-19(11,17)18/h8H,2-7H2,1H3,(H,14,15)(H2,11,17,18)(H2,12,13,16).
What are the key properties of 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid?
2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid has a molecular weight of 295.36 g/mol, XLogP of -0.53, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 113441245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).