2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid

C8H19N5O6 — CID 18676827

IUPAC2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)CC(N)C(=O)O.NCC(=O)O.NCC(N)=O
InChIInChI=1S/C4H8N2O3.C2H6N2O.C2H5NO2/c5-2(4(8)9)1-3(6)7;2*3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);1,3H2,(H2,4,5);1,3H2,(H,4,5)
InChIKeyANDIPZSNTWWVRK-UHFFFAOYSA-N
MW281.27 g/mol
LogP-4.27
Rot. Bonds5

About 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid

2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid (PubChem CID 18676827) has the molecular formula C8H19N5O6 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid.

Molecular Properties

Compound Name2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid
PubChem CID18676827
Molecular FormulaC8H19N5O6
Molecular Weight281.27 g/mol
Exact Mass281.13
IUPAC Name2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)CC(N)C(=O)O.NCC(=O)O.NCC(N)=O
InChIInChI=1S/C4H8N2O3.C2H6N2O.C2H5NO2/c5-2(4(8)9)1-3(6)7;2*3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);1,3H2,(H2,4,5);1,3H2,(H,4,5)
InChIKeyANDIPZSNTWWVRK-UHFFFAOYSA-N
XLogP-4.27
TPSA238.84 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.27
LogP ≤ 5-4.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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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
hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 22648435
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-aminoacetamide;(2S)-2-aminopentanedioic acid
CID 88807329

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid?
The IUPAC name of 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid (CID 18676827) is 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid.
What is the SMILES notation for 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid?
The canonical SMILES for 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid is NC(=O)CC(N)C(=O)O.NCC(=O)O.NCC(N)=O.
What is the InChIKey of 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid?
The InChIKey is ANDIPZSNTWWVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C2H6N2O.C2H5NO2/c5-2(4(8)9)1-3(6)7;2*3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);1,3H2,(H2,4,5);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid?
2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid has a molecular weight of 281.27 g/mol, XLogP of -4.27, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 18676827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).