tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid

C12H28N6O11 — CID 21226082

IUPACtetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)CC(N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H8N2O3.4C2H5NO2/c5-2(4(8)9)1-3(6)7;4*3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);4*1,3H2,(H,4,5)
InChIKeyQTYJUQUSWNSAPB-UHFFFAOYSA-N
MW432.39 g/mol
LogP-5.61
Rot. Bonds7

About tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid

tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid (PubChem CID 21226082) has the molecular formula C12H28N6O11 and a molecular weight of 432.39 g/mol. Its IUPAC name is tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid.

Molecular Properties

Compound Nametetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
PubChem CID21226082
Molecular FormulaC12H28N6O11
Molecular Weight432.39 g/mol
Exact Mass432.18
IUPAC Nametetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)CC(N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H8N2O3.4C2H5NO2/c5-2(4(8)9)1-3(6)7;4*3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);4*1,3H2,(H,4,5)
InChIKeyQTYJUQUSWNSAPB-UHFFFAOYSA-N
XLogP-5.61
TPSA359.69 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500432.39
LogP ≤ 5-5.61
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

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Related Compounds

pentakis(2-aminoacetic acid);bis(2,4-diamino-4-oxobutanoic acid)
CID 18680457
hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 22648435
2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid
CID 18676827
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid
CID 173165930
bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
CID 174810745
2-aminoacetic acid;2-aminobutanedioic acid
CID 18761839
magnesium;(2S)-2,4-diamino-4-oxobutanoic acid;hydride
CID 174719447
2-aminoethanol;2,4-diamino-4-oxobutanoic acid
CID 174977424
(2S)-2-aminopentanedioic acid;bis((2S)-2,4-diamino-4-oxobutanoic acid)
CID 87695022
2-aminobutanedioic acid;carbamic acid
CID 87364941

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid?
The IUPAC name of tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid (CID 21226082) is tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid.
What is the SMILES notation for tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid?
The canonical SMILES for tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid is NC(=O)CC(N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.
What is the InChIKey of tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid?
The InChIKey is QTYJUQUSWNSAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.4C2H5NO2/c5-2(4(8)9)1-3(6)7;4*3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);4*1,3H2,(H,4,5).
What are the key properties of tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid?
tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid has a molecular weight of 432.39 g/mol, XLogP of -5.61, 7 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 21226082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).