2-aminoethanol;2,4-diamino-4-oxobutanoic acid

C6H15N3O4 — CID 174977424

IUPAC2-aminoethanol;2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)CC(N)C(=O)O.NCCO
InChIInChI=1S/C4H8N2O3.C2H7NO/c5-2(4(8)9)1-3(6)7;3-1-2-4/h2H,1,5H2,(H2,6,7)(H,8,9);4H,1-3H2
InChIKeyXNSUBLQKPJGIKE-UHFFFAOYSA-N
MW193.20 g/mol
LogP-2.79
Rot. Bonds4

About 2-aminoethanol;2,4-diamino-4-oxobutanoic acid

2-aminoethanol;2,4-diamino-4-oxobutanoic acid (PubChem CID 174977424) has the molecular formula C6H15N3O4 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-aminoethanol;2,4-diamino-4-oxobutanoic acid.

Molecular Properties

Compound Name2-aminoethanol;2,4-diamino-4-oxobutanoic acid
PubChem CID174977424
Molecular FormulaC6H15N3O4
Molecular Weight193.20 g/mol
Exact Mass193.11
IUPAC Name2-aminoethanol;2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)CC(N)C(=O)O.NCCO
InChIInChI=1S/C4H8N2O3.C2H7NO/c5-2(4(8)9)1-3(6)7;3-1-2-4/h2H,1,5H2,(H2,6,7)(H,8,9);4H,1-3H2
InChIKeyXNSUBLQKPJGIKE-UHFFFAOYSA-N
XLogP-2.79
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
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
magnesium;(2S)-2,4-diamino-4-oxobutanoic acid;hydride
CID 174719447
2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid
CID 18676827
(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid
CID 173165930
(2S)-2-aminopentanedioic acid;bis((2S)-2,4-diamino-4-oxobutanoic acid)
CID 87695022
2-aminobutanedioic acid;carbamic acid
CID 87364941
bis((2S,3S)-2-amino-3-methylpentanoic acid);(2S)-2,4-diamino-4-oxobutanoic acid
CID 87666554
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
CID 87110947

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2,4-diamino-4-oxobutanoic acid?
The IUPAC name of 2-aminoethanol;2,4-diamino-4-oxobutanoic acid (CID 174977424) is 2-aminoethanol;2,4-diamino-4-oxobutanoic acid.
What is the SMILES notation for 2-aminoethanol;2,4-diamino-4-oxobutanoic acid?
The canonical SMILES for 2-aminoethanol;2,4-diamino-4-oxobutanoic acid is NC(=O)CC(N)C(=O)O.NCCO.
What is the InChIKey of 2-aminoethanol;2,4-diamino-4-oxobutanoic acid?
The InChIKey is XNSUBLQKPJGIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C2H7NO/c5-2(4(8)9)1-3(6)7;3-1-2-4/h2H,1,5H2,(H2,6,7)(H,8,9);4H,1-3H2.
What are the key properties of 2-aminoethanol;2,4-diamino-4-oxobutanoic acid?
2-aminoethanol;2,4-diamino-4-oxobutanoic acid has a molecular weight of 193.20 g/mol, XLogP of -2.79, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 174977424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).