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

C8H15N3O7S — CID 55246515

IUPAC2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
SMILESCS(=O)(=O)NCCNC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H15N3O7S/c1-19(17,18)10-3-2-9-8(16)11(4-6(12)13)5-7(14)15/h10H,2-5H2,1H3,(H,9,16)(H,12,13)(H,14,15)
InChIKeyRMLBRHDFFSVJCP-UHFFFAOYSA-N
MW297.29 g/mol
LogP-2.28
Rot. Bonds8

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

2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid (PubChem CID 55246515) has the molecular formula C8H15N3O7S and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
PubChem CID55246515
Molecular FormulaC8H15N3O7S
Molecular Weight297.29 g/mol
Exact Mass297.06
IUPAC Name2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
SMILESCS(=O)(=O)NCCNC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H15N3O7S/c1-19(17,18)10-3-2-9-8(16)11(4-6(12)13)5-7(14)15/h10H,2-5H2,1H3,(H,9,16)(H,12,13)(H,14,15)
InChIKeyRMLBRHDFFSVJCP-UHFFFAOYSA-N
XLogP-2.28
TPSA153.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 5-2.28
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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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid (CID 55246515) is 2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid is CS(=O)(=O)NCCNC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
The InChIKey is RMLBRHDFFSVJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O7S/c1-19(17,18)10-3-2-9-8(16)11(4-6(12)13)5-7(14)15/h10H,2-5H2,1H3,(H,9,16)(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid has a molecular weight of 297.29 g/mol, XLogP of -2.28, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 55246515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).