2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid

C11H15N3O5 — CID 170436744

IUPAC2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid
SMILES[N-]=[N+]=CC(=O)CCC(NC(=O)COC1CC1)C(=O)O
InChIInChI=1S/C11H15N3O5/c12-13-5-7(15)1-4-9(11(17)18)14-10(16)6-19-8-2-3-8/h5,8-9H,1-4,6H2,(H,14,16)(H,17,18)
InChIKeyDGSIOQNYPSAXRO-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.62
Rot. Bonds9

About 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid

2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid (PubChem CID 170436744) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid
PubChem CID170436744
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid
SMILES[N-]=[N+]=CC(=O)CCC(NC(=O)COC1CC1)C(=O)O
InChIInChI=1S/C11H15N3O5/c12-13-5-7(15)1-4-9(11(17)18)14-10(16)6-19-8-2-3-8/h5,8-9H,1-4,6H2,(H,14,16)(H,17,18)
InChIKeyDGSIOQNYPSAXRO-UHFFFAOYSA-N
XLogP-0.62
TPSA129.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(2-cyclopentyl-2-hydroxyacetyl)amino]-6-diazo-5-oxohexanoic acid
CID 170437086
(2S)-6-diazo-2-[[(3S)-3-hydroxybutanoyl]amino]-5-oxohexanoic acid
CID 170436947
(2S)-6-diazo-2-[[(2S)-oxetane-2-carbonyl]amino]-5-oxohexanoic acid
CID 170436902
(2S)-6-diazo-2-[[(2R)-oxane-2-carbonyl]amino]-5-oxohexanoic acid
CID 170437235
(2S)-6-diazo-5-oxo-2-[[(3R)-oxolane-3-carbonyl]amino]hexanoic acid
CID 170437424
(2S)-6-diazo-2-[[(2S)-2-methoxy-3,3-dimethylbutanoyl]amino]-5-oxohexanoic acid
CID 170437092
5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid
CID 82781715
(2R)-2-[[(2S)-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]-6-diazo-5-oxohexanoyl]amino]-6-diazo-5-oxohexanoic acid
CID 135474715
6-diazo-2-[[(3R)-oxane-3-carbonyl]amino]-5-oxohexanoic acid
CID 170436844
(2S)-6-diazo-2-[[(2R,3R)-3-methoxy-2-methylbutanoyl]amino]-5-oxohexanoic acid
CID 170437059
(2S)-6-diazo-2-[(1-methoxycyclobutanecarbonyl)amino]-5-oxohexanoic acid
CID 170437234
6-diazo-2-[(2-ethoxy-3,3-dimethylbutanoyl)amino]-5-oxohexanoic acid
CID 170436910

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid?
The IUPAC name of 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid (CID 170436744) is 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid?
The canonical SMILES for 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid is [N-]=[N+]=CC(=O)CCC(NC(=O)COC1CC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid?
The InChIKey is DGSIOQNYPSAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c12-13-5-7(15)1-4-9(11(17)18)14-10(16)6-19-8-2-3-8/h5,8-9H,1-4,6H2,(H,14,16)(H,17,18).
What are the key properties of 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid?
2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyloxyacetyl)amino]-6-diazo-5-oxohexanoic acid is sourced from PubChem (CID 170436744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).