2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid

C10H16N2O11S — CID 57121956

IUPAC2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(OS(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O11S/c13-7(14)2-11(3-8(15)16)1-6(23-24(21)22)12(4-9(17)18)5-10(19)20/h6H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyPOGYAGQAXWWPEC-UHFFFAOYSA-N
MW372.31 g/mol
LogP-2.59
Rot. Bonds13

About 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid

2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid (PubChem CID 57121956) has the molecular formula C10H16N2O11S and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid
PubChem CID57121956
Molecular FormulaC10H16N2O11S
Molecular Weight372.31 g/mol
Exact Mass372.05
IUPAC Name2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(OS(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O11S/c13-7(14)2-11(3-8(15)16)1-6(23-24(21)22)12(4-9(17)18)5-10(19)20/h6H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyPOGYAGQAXWWPEC-UHFFFAOYSA-N
XLogP-2.59
TPSA202.21 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

disodium;bis(2-[[2-[bis(carboxymethyl)amino]-2-sulfooxyethyl]-(carboxymethyl)amino]acetic acid);formaldehyde;hydride;iron;bis(sulfanediol)
CID 173332071
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate
CID 50897255
trisodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen sulfite
CID 162253415
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid
CID 14550244
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium
CID 164512797
2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid
CID 88598143

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid (CID 57121956) is 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC(OS(=O)O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is POGYAGQAXWWPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O11S/c13-7(14)2-11(3-8(15)16)1-6(23-24(21)22)12(4-9(17)18)5-10(19)20/h6H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid?
2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 372.31 g/mol, XLogP of -2.59, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(carboxymethyl)amino]-2-sulfinooxyethyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 57121956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).