2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid

C15H21NO2 — CID 106987356

IUPAC2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid
SMILESCC(C)(C)c1ccc(N)c(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C15H21NO2/c1-15(2,3)10-6-7-12(16)11(8-10)13(14(17)18)9-4-5-9/h6-9,13H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyZKNFXWYGSZWDGO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.14
Rot. Bonds3

About 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid

2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid (PubChem CID 106987356) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid
PubChem CID106987356
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid
SMILESCC(C)(C)c1ccc(N)c(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C15H21NO2/c1-15(2,3)10-6-7-12(16)11(8-10)13(14(17)18)9-4-5-9/h6-9,13H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyZKNFXWYGSZWDGO-UHFFFAOYSA-N
XLogP3.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.14
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

2-(2-amino-5-tert-butylphenyl)-3-cyclopentylpropanoic acid
CID 106988076
2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid
CID 106987726
2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid
CID 106987548
2-(2-amino-5-tert-butylphenyl)-3,4-dimethylpentanoic acid
CID 106987557
2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid
CID 106987927
2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
CID 106987383
2-[(1S)-1-aminoethyl]-4-tert-butylaniline
CID 130769790
2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
CID 82024066
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid
CID 175669148
1,2-bis(2-amino-5-tert-butylphenyl)ethane-1,2-dione
CID 141464384
ethyl 4-(2-amino-5-tert-butylphenyl)-3,4-dihydroxybutanoate
CID 171898039

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid (CID 106987356) is 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid is CC(C)(C)c1ccc(N)c(C(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid?
The InChIKey is ZKNFXWYGSZWDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)10-6-7-12(16)11(8-10)13(14(17)18)9-4-5-9/h6-9,13H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid?
2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid has a molecular weight of 247.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid is sourced from PubChem (CID 106987356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).