(2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid

C14H16N4O5 — CID 170436719

IUPAC(2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid
SMILESCO[C@H](C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O)c1ccccn1
InChIInChI=1S/C14H16N4O5/c1-23-12(10-4-2-3-7-16-10)13(20)18-11(14(21)22)6-5-9(19)8-17-15/h2-4,7-8,11-12H,5-6H2,1H3,(H,18,20)(H,21,22)/t11-,12-/m0/s1
InChIKeySQVNSMDIHLPQQG-RYUDHWBXSA-N
MW320.31 g/mol
LogP-0.01
Rot. Bonds9

About (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid

(2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid (PubChem CID 170436719) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid.

Molecular Properties

Compound Name(2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid
PubChem CID170436719
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name(2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid
SMILESCO[C@H](C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O)c1ccccn1
InChIInChI=1S/C14H16N4O5/c1-23-12(10-4-2-3-7-16-10)13(20)18-11(14(21)22)6-5-9(19)8-17-15/h2-4,7-8,11-12H,5-6H2,1H3,(H,18,20)(H,21,22)/t11-,12-/m0/s1
InChIKeySQVNSMDIHLPQQG-RYUDHWBXSA-N
XLogP-0.01
TPSA141.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
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'}

Analyze (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

6-diazo-2-[[2-(1H-imidazol-2-yl)-2-methoxyacetyl]amino]-5-oxohexanoic acid
CID 170436873
(2S)-6-diazo-2-[[(2S)-2-(furan-2-yl)-2-methoxyacetyl]amino]-5-oxohexanoic acid
CID 170436848
(2S)-6-diazo-2-[[(2S)-2-methoxy-2-(1H-pyrrol-2-yl)acetyl]amino]-5-oxohexanoic acid
CID 170437013
methyl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]-5-oxohexanoate
CID 170443977
6-diazo-2-[(2-methoxy-3-phenylpropanoyl)amino]-5-oxohexanoic acid
CID 170437239
(2S)-6-diazo-2-[[(2R,3R)-3-methoxy-2-methylbutanoyl]amino]-5-oxohexanoic acid
CID 170437059
6-diazo-2-(2-methoxypentanoylamino)-5-oxohexanoic acid
CID 170436974
(2S)-6-diazo-2-[[(2S)-2-methoxy-3,3-dimethylbutanoyl]amino]-5-oxohexanoic acid
CID 170437092
(2S)-6-diazo-2-[[(2R)-2-(5-fluoro-2-pyridinyl)-2-hydroxyacetyl]amino]-5-oxohexanoic acid
CID 170437055
6-diazo-2-[(2-hydroxy-2-phenylpropanoyl)amino]-5-oxohexanoic acid
CID 170436554
(2S)-6-diazo-2-[[(2S)-3-(4-hydroxyphenyl)-2-propan-2-yloxypropanoyl]amino]-5-oxohexanoic acid
CID 170436681
propan-2-yl (2S)-6-diazo-2-[[(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetyl]amino]-5-oxohexanoate
CID 170443707

Frequently Asked Questions

What is the IUPAC name of (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid?
The IUPAC name of (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid (CID 170436719) is (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid.
What is the SMILES notation for (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid?
The canonical SMILES for (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid is CO[C@H](C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O)c1ccccn1.
What is the InChIKey of (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid?
The InChIKey is SQVNSMDIHLPQQG-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-23-12(10-4-2-3-7-16-10)13(20)18-11(14(21)22)6-5-9(19)8-17-15/h2-4,7-8,11-12H,5-6H2,1H3,(H,18,20)(H,21,22)/t11-,12-/m0/s1.
What are the key properties of (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid?
(2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid has a molecular weight of 320.31 g/mol, XLogP of -0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-diazo-2-[[(2S)-2-methoxy-2-pyridin-2-ylacetyl]amino]-5-oxohexanoic acid is sourced from PubChem (CID 170436719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).