sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide

C6H13N4NaO5 — CID 175526347

IUPACsodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide
SMILESO=C(O)CNC(CO)(CO)CO.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C6H13NO5.N3.Na/c8-2-6(3-9,4-10)7-1-5(11)12;1-3-2;/h7-10H,1-4H2,(H,11,12);;/q;-1;+1
InChIKeyCDMXGPRLPXHNAU-UHFFFAOYSA-N
MW244.18 g/mol
LogP-4.75
Rot. Bonds6

About sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide

sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide (PubChem CID 175526347) has the molecular formula C6H13N4NaO5 and a molecular weight of 244.18 g/mol. Its IUPAC name is sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide.

Molecular Properties

Compound Namesodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide
PubChem CID175526347
Molecular FormulaC6H13N4NaO5
Molecular Weight244.18 g/mol
Exact Mass244.08
IUPAC Namesodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide
SMILESO=C(O)CNC(CO)(CO)CO.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C6H13NO5.N3.Na/c8-2-6(3-9,4-10)7-1-5(11)12;1-3-2;/h7-10H,1-4H2,(H,11,12);;/q;-1;+1
InChIKeyCDMXGPRLPXHNAU-UHFFFAOYSA-N
XLogP-4.75
TPSA168.72 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 5-4.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;hydrochloride
CID 22311667
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
CID 23451902
tris(2-[bis(2-hydroxyethyl)amino]acetic acid);2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
CID 173011257
2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphonooxypropan-2-yl]amino]acetic acid
CID 54524279
2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
CID 88728987
bis(2-[[1-aminooxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid);sulfuric acid
CID 173182675
2-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]prop-2-enoic acid
CID 107853969
methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 54443820
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-methylbut-2-enoic acid
CID 107853982
carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 137364523
sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride
CID 173228651

Frequently Asked Questions

What is the IUPAC name of sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide?
The IUPAC name of sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide (CID 175526347) is sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide.
What is the SMILES notation for sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide?
The canonical SMILES for sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide is O=C(O)CNC(CO)(CO)CO.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide?
The InChIKey is CDMXGPRLPXHNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5.N3.Na/c8-2-6(3-9,4-10)7-1-5(11)12;1-3-2;/h7-10H,1-4H2,(H,11,12);;/q;-1;+1.
What are the key properties of sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide?
sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide has a molecular weight of 244.18 g/mol, XLogP of -4.75, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide is sourced from PubChem (CID 175526347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).