2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid

C14H19NO2 — CID 115002847

IUPAC2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(C)(NC2CC2C)C(=O)O)c1
InChIInChI=1S/C14H19NO2/c1-9-5-4-6-11(7-9)14(3,13(16)17)15-12-8-10(12)2/h4-7,10,12,15H,8H2,1-3H3,(H,16,17)
InChIKeyLTBOBNBYUIGPAO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds4

About 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid

2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid (PubChem CID 115002847) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid
PubChem CID115002847
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(C)(NC2CC2C)C(=O)O)c1
InChIInChI=1S/C14H19NO2/c1-9-5-4-6-11(7-9)14(3,13(16)17)15-12-8-10(12)2/h4-7,10,12,15H,8H2,1-3H3,(H,16,17)
InChIKeyLTBOBNBYUIGPAO-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 114999802
2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 115001941
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635
2-hydroxy-N-(2-methylcyclopropyl)-2,2-diphenylacetamide
CID 110929887
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid
CID 115000696
2-methyl-2-(3-methylphenyl)but-3-enoic acid
CID 135375632
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
methyl 2-bromo-2-(3-methylphenyl)propanoate
CID 146186295
methyl (2R)-2-hydroxy-2-(3-methylphenyl)propanoate
CID 56926601
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid (CID 115002847) is 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid is Cc1cccc(C(C)(NC2CC2C)C(=O)O)c1.
What is the InChIKey of 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid?
The InChIKey is LTBOBNBYUIGPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-5-4-6-11(7-9)14(3,13(16)17)15-12-8-10(12)2/h4-7,10,12,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid?
2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 115002847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).