5-hydroxypentyl 2-(3-aminophenyl)acetate

C13H19NO3 — CID 62500174

IUPAC5-hydroxypentyl 2-(3-aminophenyl)acetate
SMILESNc1cccc(CC(=O)OCCCCCO)c1
InChIInChI=1S/C13H19NO3/c14-12-6-4-5-11(9-12)10-13(16)17-8-3-1-2-7-15/h4-6,9,15H,1-3,7-8,10,14H2
InChIKeyBSVDZVCQZQSVQL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.52
Rot. Bonds7

About 5-hydroxypentyl 2-(3-aminophenyl)acetate

5-hydroxypentyl 2-(3-aminophenyl)acetate (PubChem CID 62500174) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-hydroxypentyl 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Name5-hydroxypentyl 2-(3-aminophenyl)acetate
PubChem CID62500174
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-hydroxypentyl 2-(3-aminophenyl)acetate
SMILESNc1cccc(CC(=O)OCCCCCO)c1
InChIInChI=1S/C13H19NO3/c14-12-6-4-5-11(9-12)10-13(16)17-8-3-1-2-7-15/h4-6,9,15H,1-3,7-8,10,14H2
InChIKeyBSVDZVCQZQSVQL-UHFFFAOYSA-N
XLogP1.52
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxybutyl 3-(3-aminophenyl)propanoate
CID 80700713
methyl 4-[2-(3-aminophenyl)acetyl]oxybutanoate
CID 62498068
(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
CID 62500505
6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
CID 62499377
2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
CID 62499206
[3-(methylamino)-3-oxopropyl] 2-(3-aminophenyl)acetate
CID 62500028
2,2-difluoroethyl 2-(3-aminophenyl)acetate
CID 62500335
phenylmethoxymethyl 2-(3-aminophenyl)acetate
CID 102940348
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
CID 62499042
3-(3-aminophenyl)propan-1-ol
CID 10103334

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl 2-(3-aminophenyl)acetate?
The IUPAC name of 5-hydroxypentyl 2-(3-aminophenyl)acetate (CID 62500174) is 5-hydroxypentyl 2-(3-aminophenyl)acetate.
What is the SMILES notation for 5-hydroxypentyl 2-(3-aminophenyl)acetate?
The canonical SMILES for 5-hydroxypentyl 2-(3-aminophenyl)acetate is Nc1cccc(CC(=O)OCCCCCO)c1.
What is the InChIKey of 5-hydroxypentyl 2-(3-aminophenyl)acetate?
The InChIKey is BSVDZVCQZQSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c14-12-6-4-5-11(9-12)10-13(16)17-8-3-1-2-7-15/h4-6,9,15H,1-3,7-8,10,14H2.
What are the key properties of 5-hydroxypentyl 2-(3-aminophenyl)acetate?
5-hydroxypentyl 2-(3-aminophenyl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl 2-(3-aminophenyl)acetate is sourced from PubChem (CID 62500174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).