azane;2-[bis(hydroxymethyl)amino]acetic acid

C4H12N2O4 — CID 87594237

IUPACazane;2-[bis(hydroxymethyl)amino]acetic acid
SMILESN.O=C(O)CN(CO)CO
InChIInChI=1S/C4H9NO4.H3N/c6-2-5(3-7)1-4(8)9;/h6-7H,1-3H2,(H,8,9);1H3
InChIKeyJBWOSSGKBRXBQR-UHFFFAOYSA-N
MW152.15 g/mol
LogP-1.57
Rot. Bonds4

About azane;2-[bis(hydroxymethyl)amino]acetic acid

azane;2-[bis(hydroxymethyl)amino]acetic acid (PubChem CID 87594237) has the molecular formula C4H12N2O4 and a molecular weight of 152.15 g/mol. Its IUPAC name is azane;2-[bis(hydroxymethyl)amino]acetic acid.

Molecular Properties

Compound Nameazane;2-[bis(hydroxymethyl)amino]acetic acid
PubChem CID87594237
Molecular FormulaC4H12N2O4
Molecular Weight152.15 g/mol
Exact Mass152.08
IUPAC Nameazane;2-[bis(hydroxymethyl)amino]acetic acid
SMILESN.O=C(O)CN(CO)CO
InChIInChI=1S/C4H9NO4.H3N/c6-2-5(3-7)1-4(8)9;/h6-7H,1-3H2,(H,8,9);1H3
InChIKeyJBWOSSGKBRXBQR-UHFFFAOYSA-N
XLogP-1.57
TPSA116.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid
CID 173034412
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
CID 160559897
CID 160559897
CID 23617736
CID 23617736
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid
CID 173083279
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 173118164
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392

Frequently Asked Questions

What is the IUPAC name of azane;2-[bis(hydroxymethyl)amino]acetic acid?
The IUPAC name of azane;2-[bis(hydroxymethyl)amino]acetic acid (CID 87594237) is azane;2-[bis(hydroxymethyl)amino]acetic acid.
What is the SMILES notation for azane;2-[bis(hydroxymethyl)amino]acetic acid?
The canonical SMILES for azane;2-[bis(hydroxymethyl)amino]acetic acid is N.O=C(O)CN(CO)CO.
What is the InChIKey of azane;2-[bis(hydroxymethyl)amino]acetic acid?
The InChIKey is JBWOSSGKBRXBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4.H3N/c6-2-5(3-7)1-4(8)9;/h6-7H,1-3H2,(H,8,9);1H3.
What are the key properties of azane;2-[bis(hydroxymethyl)amino]acetic acid?
azane;2-[bis(hydroxymethyl)amino]acetic acid has a molecular weight of 152.15 g/mol, XLogP of -1.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[bis(hydroxymethyl)amino]acetic acid is sourced from PubChem (CID 87594237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).