azane;sulfo 2-aminoacetate

C2H8N2O5S — CID 173374535

IUPACazane;sulfo 2-aminoacetate
SMILESN.NCC(=O)OS(=O)(=O)O
InChIInChI=1S/C2H5NO5S.H3N/c3-1-2(4)8-9(5,6)7;/h1,3H2,(H,5,6,7);1H3
InChIKeyYFTUDHLLSKYXEG-UHFFFAOYSA-N
MW172.16 g/mol
LogP-1.55
Rot. Bonds2

About azane;sulfo 2-aminoacetate

azane;sulfo 2-aminoacetate (PubChem CID 173374535) has the molecular formula C2H8N2O5S and a molecular weight of 172.16 g/mol. Its IUPAC name is azane;sulfo 2-aminoacetate.

Molecular Properties

Compound Nameazane;sulfo 2-aminoacetate
PubChem CID173374535
Molecular FormulaC2H8N2O5S
Molecular Weight172.16 g/mol
Exact Mass172.02
IUPAC Nameazane;sulfo 2-aminoacetate
SMILESN.NCC(=O)OS(=O)(=O)O
InChIInChI=1S/C2H5NO5S.H3N/c3-1-2(4)8-9(5,6)7;/h1,3H2,(H,5,6,7);1H3
InChIKeyYFTUDHLLSKYXEG-UHFFFAOYSA-N
XLogP-1.55
TPSA141.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disulfo (2S)-2-aminobutanedioate
CID 174850638
2-aminoacetic acid;azane;sulfuric acid
CID 173374515
CID 156803859
CID 156803859
2-amino-3-(2-aminoacetyl)oxypropanoic acid;sulfo hydrogen sulfate
CID 158750704
disulfo carbonate;bis(λ2-plumbane)
CID 173043440
tetralithium;disulfo carbonate;hydride
CID 174843261
hydroxysilane;sulfo carbamate
CID 174435108
1-O-(prop-2-enoylamino) 4-O-sulfo butanedioate
CID 87378455
butan-2-yl 2-aminoacetate;sulfuric acid
CID 175046823
4-O-sulfo 1-O-tridecyl butanedioate
CID 87626037
azane;ethane-1,2-diamine;sulfuric acid
CID 175425988
amino 2-aminoacetate;zinc
CID 87197519

Frequently Asked Questions

What is the IUPAC name of azane;sulfo 2-aminoacetate?
The IUPAC name of azane;sulfo 2-aminoacetate (CID 173374535) is azane;sulfo 2-aminoacetate.
What is the SMILES notation for azane;sulfo 2-aminoacetate?
The canonical SMILES for azane;sulfo 2-aminoacetate is N.NCC(=O)OS(=O)(=O)O.
What is the InChIKey of azane;sulfo 2-aminoacetate?
The InChIKey is YFTUDHLLSKYXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO5S.H3N/c3-1-2(4)8-9(5,6)7;/h1,3H2,(H,5,6,7);1H3.
What are the key properties of azane;sulfo 2-aminoacetate?
azane;sulfo 2-aminoacetate has a molecular weight of 172.16 g/mol, XLogP of -1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfo 2-aminoacetate is sourced from PubChem (CID 173374535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).