2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid

C15H21NO2 — CID 114999802

IUPAC2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
SMILESCc1ccc(C)c(C(C)(NC2CC2C)C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-9-5-6-10(2)12(7-9)15(4,14(17)18)16-13-8-11(13)3/h5-7,11,13,16H,8H2,1-4H3,(H,17,18)
InChIKeyZRNFGRWRZZGENN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid

2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid (PubChem CID 114999802) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
PubChem CID114999802
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
SMILESCc1ccc(C)c(C(C)(NC2CC2C)C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-9-5-6-10(2)12(7-9)15(4,14(17)18)16-13-8-11(13)3/h5-7,11,13,16H,8H2,1-4H3,(H,17,18)
InChIKeyZRNFGRWRZZGENN-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid
CID 115002847
2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 115001941
2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60997722
2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518
2-(2,5-dimethylphenyl)-2-fluoropropanoic acid
CID 105425199
ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
CID 61001487
2-(3-azidopropylamino)-2-(2,5-dimethylphenyl)propanoic acid
CID 66190091
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
2-(cyclopentylamino)-2-(2,4-dimethylphenyl)propanamide
CID 54894284
2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60992830
2-(2-azidoethylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 66188813

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid (CID 114999802) is 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid is Cc1ccc(C)c(C(C)(NC2CC2C)C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid?
The InChIKey is ZRNFGRWRZZGENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-5-6-10(2)12(7-9)15(4,14(17)18)16-13-8-11(13)3/h5-7,11,13,16H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid?
2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid is sourced from PubChem (CID 114999802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).