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

C16H38N8O15 — CID 22648435

IUPAChexakis(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.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H8N2O3.6C2H5NO2/c5-2(4(8)9)1-3(6)7;6*3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);6*1,3H2,(H,4,5)
InChIKeyDXJUOBUVWLXNDB-UHFFFAOYSA-N
MW582.52 g/mol
LogP-7.55
Rot. Bonds9

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

hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid (PubChem CID 22648435) has the molecular formula C16H38N8O15 and a molecular weight of 582.52 g/mol. Its IUPAC name is hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid.

Molecular Properties

Compound Namehexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
PubChem CID22648435
Molecular FormulaC16H38N8O15
Molecular Weight582.52 g/mol
Exact Mass582.25
IUPAC Namehexakis(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.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H8N2O3.6C2H5NO2/c5-2(4(8)9)1-3(6)7;6*3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);6*1,3H2,(H,4,5)
InChIKeyDXJUOBUVWLXNDB-UHFFFAOYSA-N
XLogP-7.55
TPSA486.33 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500582.52
LogP ≤ 5-7.55
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

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Related Compounds

tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 21226082
pentakis(2-aminoacetic acid);bis(2,4-diamino-4-oxobutanoic acid)
CID 18680457
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
magnesium;(2S)-2,4-diamino-4-oxobutanoic acid;hydride
CID 174719447
bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
CID 174810745
2-aminoacetic acid;2-aminobutanedioic acid
CID 18761839
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 hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid?
The IUPAC name of hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid (CID 22648435) is hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid.
What is the SMILES notation for hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid?
The canonical SMILES for hexakis(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.NCC(=O)O.NCC(=O)O.
What is the InChIKey of hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid?
The InChIKey is DXJUOBUVWLXNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.6C2H5NO2/c5-2(4(8)9)1-3(6)7;6*3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);6*1,3H2,(H,4,5).
What are the key properties of hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid?
hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid has a molecular weight of 582.52 g/mol, XLogP of -7.55, 9 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 22648435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).