2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid

C15H19NO3 — CID 63919605

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid
SMILESO=C(O)C(COc1ccccc1)(NC1CC1)C1CC1
InChIInChI=1S/C15H19NO3/c17-14(18)15(11-6-7-11,16-12-8-9-12)10-19-13-4-2-1-3-5-13/h1-5,11-12,16H,6-10H2,(H,17,18)
InChIKeyQTIXITCXXAQBCI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.05
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid

2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid (PubChem CID 63919605) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid
PubChem CID63919605
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid
SMILESO=C(O)C(COc1ccccc1)(NC1CC1)C1CC1
InChIInChI=1S/C15H19NO3/c17-14(18)15(11-6-7-11,16-12-8-9-12)10-19-13-4-2-1-3-5-13/h1-5,11-12,16H,6-10H2,(H,17,18)
InChIKeyQTIXITCXXAQBCI-UHFFFAOYSA-N
XLogP2.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63921694
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919213
2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid
CID 63918658
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
CID 63919798
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]propanoic acid
CID 103404934
2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917868
2-cyclopropyl-2-(methylamino)-3-(3-nitrophenoxy)propanoic acid
CID 63920708
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid
CID 103180133
2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylphenoxy)propanamide
CID 63920781
3-(benzimidazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoic acid
CID 63921664
3-(4-butan-2-ylphenoxy)-2-cyclopropyl-2-(methylamino)propanoic acid
CID 107667914

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid (CID 63919605) is 2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid is O=C(O)C(COc1ccccc1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid?
The InChIKey is QTIXITCXXAQBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)15(11-6-7-11,16-12-8-9-12)10-19-13-4-2-1-3-5-13/h1-5,11-12,16H,6-10H2,(H,17,18).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid?
2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.05, 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-phenoxypropanoic acid is sourced from PubChem (CID 63919605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).