methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate

C18H26N2O5 — CID 10871817

IUPACmethyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C18H26N2O5/c1-25-18(23)15(13-14-9-5-4-6-10-14)19-16(21)11-7-2-3-8-12-17(22)20-24/h4-6,9-10,15,24H,2-3,7-8,11-13H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyAXUYKQYDXYCOFL-OAHLLOKOSA-N
MW350.42 g/mol
LogP1.73
Rot. Bonds11

About methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate

methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate (PubChem CID 10871817) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate
PubChem CID10871817
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namemethyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C18H26N2O5/c1-25-18(23)15(13-14-9-5-4-6-10-14)19-16(21)11-7-2-3-8-12-17(22)20-24/h4-6,9-10,15,24H,2-3,7-8,11-13H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyAXUYKQYDXYCOFL-OAHLLOKOSA-N
XLogP1.73
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate (CID 10871817) is methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO.
What is the InChIKey of methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate?
The InChIKey is AXUYKQYDXYCOFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-25-18(23)15(13-14-9-5-4-6-10-14)19-16(21)11-7-2-3-8-12-17(22)20-24/h4-6,9-10,15,24H,2-3,7-8,11-13H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate?
methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate has a molecular weight of 350.42 g/mol, XLogP of 1.73, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 10871817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).