propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate

C18H24N4O6 — CID 170443788

IUPACpropan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate
SMILESCOc1cncc([C@H](OC)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC(C)C)c1
InChIInChI=1S/C18H24N4O6/c1-11(2)28-18(25)15(6-5-13(23)9-21-19)22-17(24)16(27-4)12-7-14(26-3)10-20-8-12/h7-11,15-16H,5-6H2,1-4H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyLRZXNTBABQEOQZ-HOTGVXAUSA-N
MW392.41 g/mol
LogP0.86
Rot. Bonds11

About propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate

propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate (PubChem CID 170443788) has the molecular formula C18H24N4O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate
PubChem CID170443788
Molecular FormulaC18H24N4O6
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Namepropan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate
SMILESCOc1cncc([C@H](OC)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC(C)C)c1
InChIInChI=1S/C18H24N4O6/c1-11(2)28-18(25)15(6-5-13(23)9-21-19)22-17(24)16(27-4)12-7-14(26-3)10-20-8-12/h7-11,15-16H,5-6H2,1-4H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyLRZXNTBABQEOQZ-HOTGVXAUSA-N
XLogP0.86
TPSA140.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (2S)-6-diazo-2-[[(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetyl]amino]-5-oxohexanoate
CID 170443707
propan-2-yl (2S)-6-diazo-2-[[(2R,3S)-3-methoxy-2-methylbutanoyl]amino]-5-oxohexanoate
CID 170443655
methyl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]-5-oxohexanoate
CID 170443977
propan-2-yl (2S)-2-[[(2S)-2-cyano-2-methoxyacetyl]amino]-6-diazo-5-oxohexanoate
CID 175969029
propan-2-yl (2S)-2-[(2-cyano-2-methoxyacetyl)amino]-6-diazo-5-oxohexanoate
CID 170443677
propan-2-yl (2S)-6-diazo-2-[[(2R)-2-methoxy-3-oxobutanoyl]amino]-5-oxohexanoate
CID 170443686
propan-2-yl (2S)-6-diazo-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-5-oxohexanoate
CID 170443645
propan-2-yl (2S)-6-diazo-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]hexanoate
CID 170532568
propan-2-yl (2S)-2-[[(2S)-2-[[(4S)-4-amino-5-oxo-5-propan-2-yloxypentanoyl]amino]-6-diazo-5-oxohexanoyl]amino]-6-diazo-5-oxohexanoate
CID 171550238
propan-2-yl (2S)-2-[(2-cyano-2-hydroxyacetyl)amino]-6-diazo-5-oxohexanoate
CID 170443676
propan-2-yl (2S)-6-diazo-2-[[(2R)-2-hydroxy-3-oxobutanoyl]amino]-5-oxohexanoate
CID 170443687
propan-2-yl (2S)-6-diazo-2-[(3-methoxy-2-oxopropanoyl)amino]-5-oxohexanoate
CID 170443629

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate?
The IUPAC name of propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate (CID 170443788) is propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate.
What is the SMILES notation for propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate?
The canonical SMILES for propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate is COc1cncc([C@H](OC)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate?
The InChIKey is LRZXNTBABQEOQZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24N4O6/c1-11(2)28-18(25)15(6-5-13(23)9-21-19)22-17(24)16(27-4)12-7-14(26-3)10-20-8-12/h7-11,15-16H,5-6H2,1-4H3,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate?
propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate has a molecular weight of 392.41 g/mol, XLogP of 0.86, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-(5-methoxy-3-pyridinyl)acetyl]amino]-5-oxohexanoate is sourced from PubChem (CID 170443788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).