2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium

C9H10NO2Y- — CID 58903060

IUPAC2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium
SMILESCc1cc(N)[c-]cc1CC(=O)O.[Y]
InChIInChI=1S/C9H10NO2.Y/c1-6-4-8(10)3-2-7(6)5-9(11)12;/h2,4H,5,10H2,1H3,(H,11,12);/q-1;
InChIKeyLZXQEBKFCWWRRD-UHFFFAOYSA-N
MW253.09 g/mol
LogP1.00
Rot. Bonds2

About 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium

2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium (PubChem CID 58903060) has the molecular formula C9H10NO2Y- and a molecular weight of 253.09 g/mol. Its IUPAC name is 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium.

Molecular Properties

Compound Name2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium
PubChem CID58903060
Molecular FormulaC9H10NO2Y-
Molecular Weight253.09 g/mol
Exact Mass252.98
IUPAC Name2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium
SMILESCc1cc(N)[c-]cc1CC(=O)O.[Y]
InChIInChI=1S/C9H10NO2.Y/c1-6-4-8(10)3-2-7(6)5-9(11)12;/h2,4H,5,10H2,1H3,(H,11,12);/q-1;
InChIKeyLZXQEBKFCWWRRD-UHFFFAOYSA-N
XLogP1.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium?
The IUPAC name of 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium (CID 58903060) is 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium.
What is the SMILES notation for 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium?
The canonical SMILES for 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium is Cc1cc(N)[c-]cc1CC(=O)O.[Y].
What is the InChIKey of 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium?
The InChIKey is LZXQEBKFCWWRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO2.Y/c1-6-4-8(10)3-2-7(6)5-9(11)12;/h2,4H,5,10H2,1H3,(H,11,12);/q-1;.
What are the key properties of 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium?
2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium has a molecular weight of 253.09 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylbenzene-5-id-1-yl)acetic acid;yttrium is sourced from PubChem (CID 58903060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).