2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid

C14H19NO3 — CID 60929248

IUPAC2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccccc1CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-14(13(16)17,15-11-7-8-11)9-10-5-3-4-6-12(10)18-2/h3-6,11,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVIGFLXKYALUQPM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.83
Rot. Bonds6

About 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid

2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 60929248) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
PubChem CID60929248
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccccc1CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-14(13(16)17,15-11-7-8-11)9-10-5-3-4-6-12(10)18-2/h3-6,11,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVIGFLXKYALUQPM-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 63688568
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115
3-(2-methoxyphenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 61341210
3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60997285
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 79790952
2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 43360411

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid (CID 60929248) is 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid is COc1ccccc1CC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is VIGFLXKYALUQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(13(16)17,15-11-7-8-11)9-10-5-3-4-6-12(10)18-2/h3-6,11,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid?
2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 60929248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).