methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate

C18H27N3O5 — CID 73352206

IUPACmethyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccn1)NC(=O)CCCCCCCC(=O)NO
InChIInChI=1S/C18H27N3O5/c1-26-18(24)15(13-14-9-7-8-12-19-14)20-16(22)10-5-3-2-4-6-11-17(23)21-25/h7-9,12,15,25H,2-6,10-11,13H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyPFCFDLMMOWZLPP-HNNXBMFYSA-N
MW365.43 g/mol
LogP1.52
Rot. Bonds12

About methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate

methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate (PubChem CID 73352206) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate
PubChem CID73352206
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Namemethyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccn1)NC(=O)CCCCCCCC(=O)NO
InChIInChI=1S/C18H27N3O5/c1-26-18(24)15(13-14-9-7-8-12-19-14)20-16(22)10-5-3-2-4-6-11-17(23)21-25/h7-9,12,15,25H,2-6,10-11,13H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyPFCFDLMMOWZLPP-HNNXBMFYSA-N
XLogP1.52
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate?
The IUPAC name of methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate (CID 73352206) is methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate?
The canonical SMILES for methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate is COC(=O)[C@H](Cc1ccccn1)NC(=O)CCCCCCCC(=O)NO.
What is the InChIKey of methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate?
The InChIKey is PFCFDLMMOWZLPP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-26-18(24)15(13-14-9-7-8-12-19-14)20-16(22)10-5-3-2-4-6-11-17(23)21-25/h7-9,12,15,25H,2-6,10-11,13H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate?
methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate has a molecular weight of 365.43 g/mol, XLogP of 1.52, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 73352206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).