(2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid

C7H11N3O5 — CID 173389746

IUPAC(2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid
SMILESCC(O)C(=[N+]=[N-])C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C7H11N3O5/c1-3(11)5(10-9)7(14)15-2-4(8)6(12)13/h3-4,11H,2,8H2,1H3,(H,12,13)/t3?,4-/m0/s1
InChIKeyWAKGSHQRLIGGLB-BKLSDQPFSA-N
MW217.18 g/mol
LogP-2.01
Rot. Bonds5

About (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid

(2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid (PubChem CID 173389746) has the molecular formula C7H11N3O5 and a molecular weight of 217.18 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid
PubChem CID173389746
Molecular FormulaC7H11N3O5
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name(2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid
SMILESCC(O)C(=[N+]=[N-])C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C7H11N3O5/c1-3(11)5(10-9)7(14)15-2-4(8)6(12)13/h3-4,11H,2,8H2,1H3,(H,12,13)/t3?,4-/m0/s1
InChIKeyWAKGSHQRLIGGLB-BKLSDQPFSA-N
XLogP-2.01
TPSA146.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid
CID 57038468
2-aminopropanoic acid;2-diazo-3-hydroxybutanoic acid
CID 135818228
(E)-1-(2-amino-2-carboxyethoxy)-1,3-dihydroxybut-1-ene-2-diazonium
CID 6066225
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
(2S)-2-amino-4-methylpentanoic acid;methyl 3-hydroxy-2-methylidenebutanoate
CID 174857893
(2S)-2-amino-3-propanoyloxypropanoic acid
CID 56621340
(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid
CID 91534703
(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
CID 87672799
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid (CID 173389746) is (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid is CC(O)C(=[N+]=[N-])C(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid?
The InChIKey is WAKGSHQRLIGGLB-BKLSDQPFSA-N. The full InChI is InChI=1S/C7H11N3O5/c1-3(11)5(10-9)7(14)15-2-4(8)6(12)13/h3-4,11H,2,8H2,1H3,(H,12,13)/t3?,4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid?
(2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid has a molecular weight of 217.18 g/mol, XLogP of -2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-diazo-3-hydroxybutanoyl)oxypropanoic acid is sourced from PubChem (CID 173389746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).