2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid

C11H22N2O5S — CID 61022830

IUPAC2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C11H22N2O5S/c1-5-13(7-10(14)15)11(16)9(6-8(2)3)12-19(4,17)18/h8-9,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyBIOCAMRCROSUBQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.12
Rot. Bonds8

About 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid

2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid (PubChem CID 61022830) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid
PubChem CID61022830
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C11H22N2O5S/c1-5-13(7-10(14)15)11(16)9(6-8(2)3)12-19(4,17)18/h8-9,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyBIOCAMRCROSUBQ-UHFFFAOYSA-N
XLogP-0.12
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid (CID 61022830) is 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)C(CC(C)C)NS(C)(=O)=O.
What is the InChIKey of 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid?
The InChIKey is BIOCAMRCROSUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-5-13(7-10(14)15)11(16)9(6-8(2)3)12-19(4,17)18/h8-9,12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid?
2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid has a molecular weight of 294.37 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid is sourced from PubChem (CID 61022830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).