2-[octyl(sulfo)amino]acetic acid

C10H21NO5S — CID 88730489

IUPAC2-[octyl(sulfo)amino]acetic acid
SMILESCCCCCCCCN(CC(=O)O)S(=O)(=O)O
InChIInChI=1S/C10H21NO5S/c1-2-3-4-5-6-7-8-11(9-10(12)13)17(14,15)16/h2-9H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyYDXLWUZUGKLBCM-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.54
Rot. Bonds10

About 2-[octyl(sulfo)amino]acetic acid

2-[octyl(sulfo)amino]acetic acid (PubChem CID 88730489) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[octyl(sulfo)amino]acetic acid.

Molecular Properties

Compound Name2-[octyl(sulfo)amino]acetic acid
PubChem CID88730489
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name2-[octyl(sulfo)amino]acetic acid
SMILESCCCCCCCCN(CC(=O)O)S(=O)(=O)O
InChIInChI=1S/C10H21NO5S/c1-2-3-4-5-6-7-8-11(9-10(12)13)17(14,15)16/h2-9H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyYDXLWUZUGKLBCM-UHFFFAOYSA-N
XLogP1.54
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2-[hexadecyl(sulfo)amino]ethanesulfonic acid
CID 22556426
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
2-[hexyl(methyl)amino]acetic acid
CID 10197909
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[octacosyl-(pentylamino)amino]acetic acid
CID 174923195
N,N-dipentylethanesulfonamide
CID 3453334
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
2-[heptyl(3-hydroxypropyl)sulfamoyl]acetic acid
CID 55028849
N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824

Frequently Asked Questions

What is the IUPAC name of 2-[octyl(sulfo)amino]acetic acid?
The IUPAC name of 2-[octyl(sulfo)amino]acetic acid (CID 88730489) is 2-[octyl(sulfo)amino]acetic acid.
What is the SMILES notation for 2-[octyl(sulfo)amino]acetic acid?
The canonical SMILES for 2-[octyl(sulfo)amino]acetic acid is CCCCCCCCN(CC(=O)O)S(=O)(=O)O.
What is the InChIKey of 2-[octyl(sulfo)amino]acetic acid?
The InChIKey is YDXLWUZUGKLBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-2-3-4-5-6-7-8-11(9-10(12)13)17(14,15)16/h2-9H2,1H3,(H,12,13)(H,14,15,16).
What are the key properties of 2-[octyl(sulfo)amino]acetic acid?
2-[octyl(sulfo)amino]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[octyl(sulfo)amino]acetic acid is sourced from PubChem (CID 88730489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).