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

C18H27N3O5 — CID 25225123

IUPACmethyl (2R)-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-/m1/s1
InChIKeyPFCFDLMMOWZLPP-OAHLLOKOSA-N
MW365.43 g/mol
LogP1.52
Rot. Bonds12

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

methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate (PubChem CID 25225123) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate
PubChem CID25225123
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Namemethyl (2R)-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-/m1/s1
InChIKeyPFCFDLMMOWZLPP-OAHLLOKOSA-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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Related Compounds

methyl 3-(4-bromophenyl)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]propanoate
CID 74075388
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate
CID 162479074
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
methyl (2S)-2-[4-[3-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenoxy]butanoylamino]-3-phenylpropanoate
CID 90211862
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate
CID 18539908
methyl 2-(5-hydroxypentanoylamino)-3-phenylpropanoate
CID 79198729
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
CID 11002177
methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
CID 170714633
(2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid
CID 11024167

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate?
The IUPAC name of methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate (CID 25225123) is methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate?
The canonical SMILES for methyl (2R)-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 (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate?
The InChIKey is PFCFDLMMOWZLPP-OAHLLOKOSA-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-/m1/s1.
What are the key properties of methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate?
methyl (2R)-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 (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 25225123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).