(2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid

C7H9N3O3 — CID 141152536

IUPAC(2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid
SMILES[N-]=[N+]=CC(=C=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C7H9N3O3/c8-6(7(12)13)2-1-5(4-11)3-10-9/h3,6H,1-2,8H2,(H,12,13)/t6-/m1/s1
InChIKeyBXVAOWNIEZBYCA-ZCFIWIBFSA-N
MW183.17 g/mol
LogP-0.76
Rot. Bonds5

About (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid

(2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid (PubChem CID 141152536) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid
PubChem CID141152536
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name(2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid
SMILES[N-]=[N+]=CC(=C=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C7H9N3O3/c8-6(7(12)13)2-1-5(4-11)3-10-9/h3,6H,1-2,8H2,(H,12,13)/t6-/m1/s1
InChIKeyBXVAOWNIEZBYCA-ZCFIWIBFSA-N
XLogP-0.76
TPSA116.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5,6-didiazohexanoic acid
CID 151899976
(2S)-2-amino-5-isocyanato-5-oxopentanoic acid
CID 174715855
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2R)-2-[[(2S)-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]-6-diazo-5-oxohexanoyl]amino]-6-diazo-5-oxohexanoic acid
CID 135474715
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid?
The IUPAC name of (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid (CID 141152536) is (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid.
What is the SMILES notation for (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid?
The canonical SMILES for (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid is [N-]=[N+]=CC(=C=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid?
The InChIKey is BXVAOWNIEZBYCA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-6(7(12)13)2-1-5(4-11)3-10-9/h3,6H,1-2,8H2,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid?
(2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid is sourced from PubChem (CID 141152536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).