(2S)-2-(3,4-dihydroxyphenyl)pentanamide

C11H15NO3 — CID 5324670

IUPAC(2S)-2-(3,4-dihydroxyphenyl)pentanamide
SMILESCCC[C@H](C(N)=O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)/t8-/m0/s1
InChIKeyGDXQWRJYXZXWMT-QMMMGPOBSA-N
MW209.25 g/mol
LogP1.47
Rot. Bonds4

About (2S)-2-(3,4-dihydroxyphenyl)pentanamide

(2S)-2-(3,4-dihydroxyphenyl)pentanamide (PubChem CID 5324670) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-(3,4-dihydroxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dihydroxyphenyl)pentanamide
PubChem CID5324670
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-(3,4-dihydroxyphenyl)pentanamide
SMILESCCC[C@H](C(N)=O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)/t8-/m0/s1
InChIKeyGDXQWRJYXZXWMT-QMMMGPOBSA-N
XLogP1.47
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenyl)pentanamide
CID 10728355
2-(4-methylphenyl)pentanamide
CID 91135302
2-(3,5-dihydroxyphenyl)pentanamide
CID 139605066
ethyl 2-(3,4-dihydroxyphenyl)butanoate
CID 139641530
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
ethyl 2-amino-2,3-dideuterio-3-(3,4-dihydroxyphenyl)hexanoate
CID 174998023
2-(3-nitrophenyl)pentanamide
CID 142403572
4-(3,4-dihydroxyphenyl)-3-oxohexanoic acid
CID 152643870

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dihydroxyphenyl)pentanamide?
The IUPAC name of (2S)-2-(3,4-dihydroxyphenyl)pentanamide (CID 5324670) is (2S)-2-(3,4-dihydroxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-(3,4-dihydroxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-(3,4-dihydroxyphenyl)pentanamide is CCC[C@H](C(N)=O)c1ccc(O)c(O)c1.
What is the InChIKey of (2S)-2-(3,4-dihydroxyphenyl)pentanamide?
The InChIKey is GDXQWRJYXZXWMT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(3,4-dihydroxyphenyl)pentanamide?
(2S)-2-(3,4-dihydroxyphenyl)pentanamide has a molecular weight of 209.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dihydroxyphenyl)pentanamide is sourced from PubChem (CID 5324670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).