azane;2-(2-ethylphenyl)acetic acid

C10H15NO2 — CID 70384426

IUPACazane;2-(2-ethylphenyl)acetic acid
SMILESCCc1ccccc1CC(=O)O.N
InChIInChI=1S/C10H12O2.H3N/c1-2-8-5-3-4-6-9(8)7-10(11)12;/h3-6H,2,7H2,1H3,(H,11,12);1H3
InChIKeyUTNDMHZWYJJYOB-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.04
Rot. Bonds3

About azane;2-(2-ethylphenyl)acetic acid

azane;2-(2-ethylphenyl)acetic acid (PubChem CID 70384426) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is azane;2-(2-ethylphenyl)acetic acid.

Molecular Properties

Compound Nameazane;2-(2-ethylphenyl)acetic acid
PubChem CID70384426
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameazane;2-(2-ethylphenyl)acetic acid
SMILESCCc1ccccc1CC(=O)O.N
InChIInChI=1S/C10H12O2.H3N/c1-2-8-5-3-4-6-9(8)7-10(11)12;/h3-6H,2,7H2,1H3,(H,11,12);1H3
InChIKeyUTNDMHZWYJJYOB-UHFFFAOYSA-N
XLogP2.04
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
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CID 172781038
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1,2-diethylbenzene;2-methylidenepropanedioic acid
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CID 20612116
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
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CID 67440217
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CID 159726745

Frequently Asked Questions

What is the IUPAC name of azane;2-(2-ethylphenyl)acetic acid?
The IUPAC name of azane;2-(2-ethylphenyl)acetic acid (CID 70384426) is azane;2-(2-ethylphenyl)acetic acid.
What is the SMILES notation for azane;2-(2-ethylphenyl)acetic acid?
The canonical SMILES for azane;2-(2-ethylphenyl)acetic acid is CCc1ccccc1CC(=O)O.N.
What is the InChIKey of azane;2-(2-ethylphenyl)acetic acid?
The InChIKey is UTNDMHZWYJJYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.H3N/c1-2-8-5-3-4-6-9(8)7-10(11)12;/h3-6H,2,7H2,1H3,(H,11,12);1H3.
What are the key properties of azane;2-(2-ethylphenyl)acetic acid?
azane;2-(2-ethylphenyl)acetic acid has a molecular weight of 181.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(2-ethylphenyl)acetic acid is sourced from PubChem (CID 70384426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).