(2-amino-6-hydroxyphenyl) pentanoate

C11H15NO3 — CID 91194875

IUPAC(2-amino-6-hydroxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1c(N)cccc1O
InChIInChI=1S/C11H15NO3/c1-2-3-7-10(14)15-11-8(12)5-4-6-9(11)13/h4-6,13H,2-3,7,12H2,1H3
InChIKeyILWZVPVTNNVPKG-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.07
Rot. Bonds4

About (2-amino-6-hydroxyphenyl) pentanoate

(2-amino-6-hydroxyphenyl) pentanoate (PubChem CID 91194875) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2-amino-6-hydroxyphenyl) pentanoate.

Molecular Properties

Compound Name(2-amino-6-hydroxyphenyl) pentanoate
PubChem CID91194875
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2-amino-6-hydroxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1c(N)cccc1O
InChIInChI=1S/C11H15NO3/c1-2-3-7-10(14)15-11-8(12)5-4-6-9(11)13/h4-6,13H,2-3,7,12H2,1H3
InChIKeyILWZVPVTNNVPKG-UHFFFAOYSA-N
XLogP2.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-amino-6-hydroxyphenyl) pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dihydroxyphenyl) octadecanoate
CID 67788955
(2-amino-6-bromophenyl) hexanoate
CID 174983414
(2,6-dihydroxyphenyl) butanoate
CID 91363565
(2-amino-3-hydroxyphenyl) pentanoate
CID 57028782
(2-amino-3-hydroxyphenyl) hexanoate
CID 70054664
(2,6-dihydroxyphenyl) (Z)-octadec-9-enoate
CID 70294873
(4-methoxyphenyl)methyl 3-amino-2-pentanoyloxybenzoate
CID 57281587
(2-pentanoyloxy-3-pentoxyphenyl) pentanoate
CID 90032453
(3-methoxy-2-pentanoyloxyphenyl) pentanoate
CID 90032115
[2,3-di(octadecanoyloxy)phenyl] octadecanoate
CID 172679965
[5,9,10-tri(undecanoyloxy)pyren-4-yl] undecanoate
CID 137441027
(3-iodo-2-pentanoyloxyphenyl) pentanoate
CID 90032443

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-hydroxyphenyl) pentanoate?
The IUPAC name of (2-amino-6-hydroxyphenyl) pentanoate (CID 91194875) is (2-amino-6-hydroxyphenyl) pentanoate.
What is the SMILES notation for (2-amino-6-hydroxyphenyl) pentanoate?
The canonical SMILES for (2-amino-6-hydroxyphenyl) pentanoate is CCCCC(=O)Oc1c(N)cccc1O.
What is the InChIKey of (2-amino-6-hydroxyphenyl) pentanoate?
The InChIKey is ILWZVPVTNNVPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-7-10(14)15-11-8(12)5-4-6-9(11)13/h4-6,13H,2-3,7,12H2,1H3.
What are the key properties of (2-amino-6-hydroxyphenyl) pentanoate?
(2-amino-6-hydroxyphenyl) pentanoate has a molecular weight of 209.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-hydroxyphenyl) pentanoate is sourced from PubChem (CID 91194875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).