2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid

C10H21N3O5S — CID 55145912

IUPAC2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C10H21N3O5S/c1-8(2)6-13(7-9(14)15)10(16)11-4-5-12-19(3,17)18/h8,12H,4-7H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyBPHPMLYVQBPOPY-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.71
Rot. Bonds8

About 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid

2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 55145912) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID55145912
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C10H21N3O5S/c1-8(2)6-13(7-9(14)15)10(16)11-4-5-12-19(3,17)18/h8,12H,4-7H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyBPHPMLYVQBPOPY-UHFFFAOYSA-N
XLogP-0.71
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid (CID 55145912) is 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is BPHPMLYVQBPOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-8(2)6-13(7-9(14)15)10(16)11-4-5-12-19(3,17)18/h8,12H,4-7H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 295.36 g/mol, XLogP of -0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 55145912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).