2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid

C10H21N3O6S — CID 103995553

IUPAC2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C10H21N3O6S/c1-19-7-6-13(8-9(14)15)10(16)11-4-3-5-12-20(2,17)18/h12H,3-8H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyJPMVOXGRGUJJSL-UHFFFAOYSA-N
MW311.36 g/mol
LogP-1.33
Rot. Bonds10

About 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid

2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 103995553) has the molecular formula C10H21N3O6S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID103995553
Molecular FormulaC10H21N3O6S
Molecular Weight311.36 g/mol
Exact Mass311.12
IUPAC Name2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C10H21N3O6S/c1-19-7-6-13(8-9(14)15)10(16)11-4-3-5-12-20(2,17)18/h12H,3-8H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyJPMVOXGRGUJJSL-UHFFFAOYSA-N
XLogP-1.33
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79272017
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506
2-[2-methoxyethyl-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 79269696
2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
CID 106340311
2-[4-methoxybutylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79275399
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid (CID 103995553) is 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is JPMVOXGRGUJJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O6S/c1-19-7-6-13(8-9(14)15)10(16)11-4-3-5-12-20(2,17)18/h12H,3-8H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 311.36 g/mol, XLogP of -1.33, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 103995553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).