2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid

C16H21NO3 — CID 63919213

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1OCC(NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H21NO3/c1-11-4-2-3-5-14(11)20-10-16(15(18)19,12-6-7-12)17-13-8-9-13/h2-5,12-13,17H,6-10H2,1H3,(H,18,19)
InChIKeyXDROJHLQHOWYQO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.36
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid

2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid (PubChem CID 63919213) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
PubChem CID63919213
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1OCC(NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H21NO3/c1-11-4-2-3-5-14(11)20-10-16(15(18)19,12-6-7-12)17-13-8-9-13/h2-5,12-13,17H,6-10H2,1H3,(H,18,19)
InChIKeyXDROJHLQHOWYQO-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid
CID 63918658
2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919210
2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid
CID 63919605
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63921694
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 102983623
2-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-1-ol
CID 64803341
2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 63918609
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]propanoic acid
CID 103404934
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid
CID 103180133
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylphenoxy)propanamide
CID 63920781

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid (CID 63919213) is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid is Cc1ccccc1OCC(NC1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid?
The InChIKey is XDROJHLQHOWYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-4-2-3-5-14(11)20-10-16(15(18)19,12-6-7-12)17-13-8-9-13/h2-5,12-13,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid?
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 63919213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).