2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid

C13H19NO2 — CID 43754325

IUPAC2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid
SMILESCCc1ccc(C(NC(C)C)C(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-4-10-5-7-11(8-6-10)12(13(15)16)14-9(2)3/h5-9,12,14H,4H2,1-3H3,(H,15,16)
InChIKeyIGRYHPAHSJGUCG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.37
Rot. Bonds5

About 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid

2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid (PubChem CID 43754325) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid
PubChem CID43754325
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid
SMILESCCc1ccc(C(NC(C)C)C(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-4-10-5-7-11(8-6-10)12(13(15)16)14-9(2)3/h5-9,12,14H,4H2,1-3H3,(H,15,16)
InChIKeyIGRYHPAHSJGUCG-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butylamino)-2-(4-ethylphenyl)acetic acid
CID 84747252
3-[[carboxy-(4-ethylphenyl)methyl]amino]propanoic acid
CID 84747535
(2R)-2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-phenylacetamide
CID 94180432
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
5-(4-ethylphenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
CID 82347753
2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044647
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348
2-(cycloheptylamino)-2-(4-ethylphenyl)acetamide
CID 60997559
(2S)-2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119942975
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119349149
3-amino-3-(4-ethylphenyl)-2-(methylamino)propanoic acid
CID 116946846

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid (CID 43754325) is 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid is CCc1ccc(C(NC(C)C)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid?
The InChIKey is IGRYHPAHSJGUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10-5-7-11(8-6-10)12(13(15)16)14-9(2)3/h5-9,12,14H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid?
2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid has a molecular weight of 221.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid is sourced from PubChem (CID 43754325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).