amino 2-(4-aminophenyl)acetate

C8H10N2O2 — CID 66872043

IUPACamino 2-(4-aminophenyl)acetate
SMILESNOC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C8H10N2O2/c9-7-3-1-6(2-4-7)5-8(11)12-10/h1-4H,5,9-10H2
InChIKeyMOCWXLSHFXVBAG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.23
Rot. Bonds2

About amino 2-(4-aminophenyl)acetate

amino 2-(4-aminophenyl)acetate (PubChem CID 66872043) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is amino 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Nameamino 2-(4-aminophenyl)acetate
PubChem CID66872043
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameamino 2-(4-aminophenyl)acetate
SMILESNOC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C8H10N2O2/c9-7-3-1-6(2-4-7)5-8(11)12-10/h1-4H,5,9-10H2
InChIKeyMOCWXLSHFXVBAG-UHFFFAOYSA-N
XLogP0.23
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770
(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61323404
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
pyridin-4-ylmethyl 2-(4-aminophenyl)acetate
CID 61321694
butan-2-yl 2-(4-aminophenyl)acetate
CID 43830814
2-[3-[2-[2-(4-aminophenyl)acetyl]oxyethoxy]-2,2-bis[2-[2-(4-aminophenyl)acetyl]oxyethoxymethyl]propoxy]ethyl 2-(4-aminophenyl)acetate
CID 59273590
(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61321314
cyclohexylmethyl 2-(4-aminophenyl)acetate
CID 61321508

Frequently Asked Questions

What is the IUPAC name of amino 2-(4-aminophenyl)acetate?
The IUPAC name of amino 2-(4-aminophenyl)acetate (CID 66872043) is amino 2-(4-aminophenyl)acetate.
What is the SMILES notation for amino 2-(4-aminophenyl)acetate?
The canonical SMILES for amino 2-(4-aminophenyl)acetate is NOC(=O)Cc1ccc(N)cc1.
What is the InChIKey of amino 2-(4-aminophenyl)acetate?
The InChIKey is MOCWXLSHFXVBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-7-3-1-6(2-4-7)5-8(11)12-10/h1-4H,5,9-10H2.
What are the key properties of amino 2-(4-aminophenyl)acetate?
amino 2-(4-aminophenyl)acetate has a molecular weight of 166.18 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(4-aminophenyl)acetate is sourced from PubChem (CID 66872043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).