2-(3-amino-2-ethylphenyl)acetic acid

C10H13NO2 — CID 91873822

IUPAC2-(3-amino-2-ethylphenyl)acetic acid
SMILESCCc1c(N)cccc1CC(=O)O
InChIInChI=1S/C10H13NO2/c1-2-8-7(6-10(12)13)4-3-5-9(8)11/h3-5H,2,6,11H2,1H3,(H,12,13)
InChIKeyDIFFPQOSMWJNOH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.46
Rot. Bonds3

About 2-(3-amino-2-ethylphenyl)acetic acid

2-(3-amino-2-ethylphenyl)acetic acid (PubChem CID 91873822) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(3-amino-2-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-2-ethylphenyl)acetic acid
PubChem CID91873822
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(3-amino-2-ethylphenyl)acetic acid
SMILESCCc1c(N)cccc1CC(=O)O
InChIInChI=1S/C10H13NO2/c1-2-8-7(6-10(12)13)4-3-5-9(8)11/h3-5H,2,6,11H2,1H3,(H,12,13)
InChIKeyDIFFPQOSMWJNOH-UHFFFAOYSA-N
XLogP1.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-ethylbenzoic acid
CID 18185344
2-(2-ethyl-3-hydrazinylphenyl)acetic acid
CID 131001227
2-(3-amino-2-ethylphenyl)ethyl acetate
CID 174410816
2,3-diethylaniline;pyrene
CID 18406401
2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid
CID 150696668
1-[4-[(3-amino-2-ethylphenyl)methyl]piperazin-1-yl]ethanone
CID 156722332
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
2-(2-amino-6-phenylphenyl)acetic acid
CID 13048602
benzene-1,2-diamine;propanoic acid
CID 158630762
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
ethane;2-ethylaniline
CID 90841248

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethylphenyl)acetic acid?
The IUPAC name of 2-(3-amino-2-ethylphenyl)acetic acid (CID 91873822) is 2-(3-amino-2-ethylphenyl)acetic acid.
What is the SMILES notation for 2-(3-amino-2-ethylphenyl)acetic acid?
The canonical SMILES for 2-(3-amino-2-ethylphenyl)acetic acid is CCc1c(N)cccc1CC(=O)O.
What is the InChIKey of 2-(3-amino-2-ethylphenyl)acetic acid?
The InChIKey is DIFFPQOSMWJNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-8-7(6-10(12)13)4-3-5-9(8)11/h3-5H,2,6,11H2,1H3,(H,12,13).
What are the key properties of 2-(3-amino-2-ethylphenyl)acetic acid?
2-(3-amino-2-ethylphenyl)acetic acid has a molecular weight of 179.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethylphenyl)acetic acid is sourced from PubChem (CID 91873822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).