sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid

C14H32NNaO6S — CID 175285202

IUPACsodium;dodecyl 2-aminoacetate;hydride;sulfuric acid
SMILESCCCCCCCCCCCCOC(=O)CN.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H29NO2.Na.H2O4S.H/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;;1-5(2,3)4;/h2-13,15H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyBLHDLSFJKGSHDA-UHFFFAOYSA-N
MW365.47 g/mol
LogP-0.13
Rot. Bonds12

About sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid

sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid (PubChem CID 175285202) has the molecular formula C14H32NNaO6S and a molecular weight of 365.47 g/mol. Its IUPAC name is sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid.

Molecular Properties

Compound Namesodium;dodecyl 2-aminoacetate;hydride;sulfuric acid
PubChem CID175285202
Molecular FormulaC14H32NNaO6S
Molecular Weight365.47 g/mol
Exact Mass365.18
IUPAC Namesodium;dodecyl 2-aminoacetate;hydride;sulfuric acid
SMILESCCCCCCCCCCCCOC(=O)CN.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H29NO2.Na.H2O4S.H/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;;1-5(2,3)4;/h2-13,15H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyBLHDLSFJKGSHDA-UHFFFAOYSA-N
XLogP-0.13
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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CID 178018293
nonadec-10-enyl 2-aminoacetate
CID 90782859
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CID 173122737
2-hexacosoxy-2-oxoethanesulfonic acid
CID 86750635
octyl 2-methylsulfonylacetate
CID 88582937
sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352
sodium;hydride;octadecyl hexadecanoate
CID 174467496
sodium;hydride;sulfuric acid;1-tetradecoxytetradecane
CID 173005905
lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid
CID 174968836
CID 88820097
CID 88820097
disodium;hydride;4-oxo-2-sulfo-4-tridecoxybutanoic acid
CID 174767922
sodium;dodecyl 2-chloroacetate;hydride
CID 175130022

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid?
The IUPAC name of sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid (CID 175285202) is sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid.
What is the SMILES notation for sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid?
The canonical SMILES for sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid is CCCCCCCCCCCCOC(=O)CN.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid?
The InChIKey is BLHDLSFJKGSHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.Na.H2O4S.H/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;;1-5(2,3)4;/h2-13,15H2,1H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid?
sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid has a molecular weight of 365.47 g/mol, XLogP of -0.13, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl 2-aminoacetate;hydride;sulfuric acid is sourced from PubChem (CID 175285202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).