(2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid

C17H24N2O5 — CID 11024167

IUPAC(2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid
SMILESO=C(CCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O)NO
InChIInChI=1S/C17H24N2O5/c20-15(10-6-1-2-7-11-16(21)19-24)18-14(17(22)23)12-13-8-4-3-5-9-13/h3-5,8-9,14,24H,1-2,6-7,10-12H2,(H,18,20)(H,19,21)(H,22,23)/t14-/m1/s1
InChIKeyULHQUNKWQUAIGA-CQSZACIVSA-N
MW336.39 g/mol
LogP1.64
Rot. Bonds11

About (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid

(2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid (PubChem CID 11024167) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid
PubChem CID11024167
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid
SMILESO=C(CCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O)NO
InChIInChI=1S/C17H24N2O5/c20-15(10-6-1-2-7-11-16(21)19-24)18-14(17(22)23)12-13-8-4-3-5-9-13/h3-5,8-9,14,24H,1-2,6-7,10-12H2,(H,18,20)(H,19,21)(H,22,23)/t14-/m1/s1
InChIKeyULHQUNKWQUAIGA-CQSZACIVSA-N
XLogP1.64
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
CID 11002177
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
CID 160842704
CID 160842704
(2S)-2-(hex-5-enoylamino)-3-phenylpropanoic acid
CID 119366534
(2S)-2-(4-oxobutanoylamino)-3-phenylpropanoic acid
CID 58235472
3-phenyl-2-[[3-phenyl-2-(undec-10-enoylamino)propanoyl]amino]propanoic acid
CID 70673825
2-(6-nitrooxyhexanoylamino)-3-phenylpropanoic acid
CID 59287667

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid (CID 11024167) is (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid is O=C(CCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O)NO.
What is the InChIKey of (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid?
The InChIKey is ULHQUNKWQUAIGA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O5/c20-15(10-6-1-2-7-11-16(21)19-24)18-14(17(22)23)12-13-8-4-3-5-9-13/h3-5,8-9,14,24H,1-2,6-7,10-12H2,(H,18,20)(H,19,21)(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid has a molecular weight of 336.39 g/mol, XLogP of 1.64, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 11024167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).