tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol

C12H31N5O11 — CID 157174364

IUPACtetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)CO.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H11NO3.4C2H5NO2/c5-4(1-6,2-7)3-8;4*3-1-2(4)5/h6-8H,1-3,5H2;4*1,3H2,(H,4,5)
InChIKeyANVJDDFUALPTBF-UHFFFAOYSA-N
MW421.40 g/mol
LogP-6.22
Rot. Bonds7

About tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol

tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 157174364) has the molecular formula C12H31N5O11 and a molecular weight of 421.40 g/mol. Its IUPAC name is tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Nametetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol
PubChem CID157174364
Molecular FormulaC12H31N5O11
Molecular Weight421.40 g/mol
Exact Mass421.20
IUPAC Nametetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)CO.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H11NO3.4C2H5NO2/c5-4(1-6,2-7)3-8;4*3-1-2(4)5/h6-8H,1-3,5H2;4*1,3H2,(H,4,5)
InChIKeyANVJDDFUALPTBF-UHFFFAOYSA-N
XLogP-6.22
TPSA339.99 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500421.40
LogP ≤ 5-6.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Related Compounds

2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine
CID 22118202
bis(2-aminoacetic acid);copper
CID 50912486
CID 87493832
CID 87493832
2-aminoacetic acid;cadmium
CID 87269769
2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
CID 19084655
(2-aminoacetic acid);carbonic acid
CID 173312624
2-amino-2-(hydroxymethyl)propane-1,3-diol;2,2-dichloroacetic acid
CID 134540684
2-aminoacetic acid;oxocopper
CID 158791680
tetraazanium;zinc;bis(2-aminoacetic acid)
CID 72715319
2-aminoacetic acid;molecular hydrogen
CID 173030336
sodium;2-aminoacetic acid;bromide
CID 174820906
2-aminoacetic acid;iron;nickel
CID 175589238

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol (CID 157174364) is tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol is NC(CO)(CO)CO.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.
What is the InChIKey of tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is ANVJDDFUALPTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.4C2H5NO2/c5-4(1-6,2-7)3-8;4*3-1-2(4)5/h6-8H,1-3,5H2;4*1,3H2,(H,4,5).
What are the key properties of tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol?
tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 421.40 g/mol, XLogP of -6.22, 7 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 157174364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).