(2-aminoanilino) acetate

C8H10N2O2 — CID 168742101

IUPAC(2-aminoanilino) acetate
SMILESCC(=O)ONc1ccccc1N
InChIInChI=1S/C8H10N2O2/c1-6(11)12-10-8-5-3-2-4-7(8)9/h2-5,10H,9H2,1H3
InChIKeySPLBUXJDABNMFH-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.16
Rot. Bonds2

About (2-aminoanilino) acetate

(2-aminoanilino) acetate (PubChem CID 168742101) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (2-aminoanilino) acetate.

Molecular Properties

Compound Name(2-aminoanilino) acetate
PubChem CID168742101
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(2-aminoanilino) acetate
SMILESCC(=O)ONc1ccccc1N
InChIInChI=1S/C8H10N2O2/c1-6(11)12-10-8-5-3-2-4-7(8)9/h2-5,10H,9H2,1H3
InChIKeySPLBUXJDABNMFH-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-cyanoanilino) acetate
CID 87886344
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
(3-amino-2-methylphenyl)urea
CID 16770559
(Z)-4-(2-aminoanilino)-3-bromobut-3-en-2-one
CID 100953946
N-(2-aminophenyl)-2-methylprop-2-enamide;propane
CID 118948381
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
2-(2-aminoanilino)propanoic acid
CID 67237083
acetyl acetate;butane-2,3-dione;2-iodoaniline
CID 91488016

Frequently Asked Questions

What is the IUPAC name of (2-aminoanilino) acetate?
The IUPAC name of (2-aminoanilino) acetate (CID 168742101) is (2-aminoanilino) acetate.
What is the SMILES notation for (2-aminoanilino) acetate?
The canonical SMILES for (2-aminoanilino) acetate is CC(=O)ONc1ccccc1N.
What is the InChIKey of (2-aminoanilino) acetate?
The InChIKey is SPLBUXJDABNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(11)12-10-8-5-3-2-4-7(8)9/h2-5,10H,9H2,1H3.
What are the key properties of (2-aminoanilino) acetate?
(2-aminoanilino) acetate has a molecular weight of 166.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoanilino) acetate is sourced from PubChem (CID 168742101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).