2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium

C5H8N3O4+ — CID 44563367

IUPAC2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium
SMILESN#[N+]CC(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h3H,1-2,6H2/p+1/t3-/m0/s1
InChIKeyYXEASJLRXGZRHS-VKHMYHEASA-O
MW174.14 g/mol
LogP-1.21
Rot. Bonds4

About 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium

2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium (PubChem CID 44563367) has the molecular formula C5H8N3O4+ and a molecular weight of 174.14 g/mol. Its IUPAC name is 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium.

Molecular Properties

Compound Name2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium
PubChem CID44563367
Molecular FormulaC5H8N3O4+
Molecular Weight174.14 g/mol
Exact Mass174.05
IUPAC Name2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium
SMILESN#[N+]CC(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h3H,1-2,6H2/p+1/t3-/m0/s1
InChIKeyYXEASJLRXGZRHS-VKHMYHEASA-O
XLogP-1.21
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
CID 45122522
(2S)-2-amino-3-(3-oxobutanoyloxy)propanoic acid
CID 14218610
(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid
CID 91534703
(2S)-2-amino-3-propanoyloxypropanoic acid
CID 56621340
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
(E)-1-(2-amino-2-carboxyethoxy)-1,3-dihydroxybut-1-ene-2-diazonium
CID 6066225
2-amino-3-(2-aminoacetyl)oxypropanoic acid;sulfo hydrogen sulfate
CID 158750704
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
(2S)-2-amino-3-octadecanoyloxypropanoic acid
CID 140580797
(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
CID 58732233
(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
CID 87672799

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium?
The IUPAC name of 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium (CID 44563367) is 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium.
What is the SMILES notation for 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium?
The canonical SMILES for 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium is N#[N+]CC(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium?
The InChIKey is YXEASJLRXGZRHS-VKHMYHEASA-O. The full InChI is InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h3H,1-2,6H2/p+1/t3-/m0/s1.
What are the key properties of 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium?
2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium has a molecular weight of 174.14 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium is sourced from PubChem (CID 44563367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).