2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid

C15H21NO3 — CID 55143193

IUPAC2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
SMILESCc1ccc(C)c(OCCC(NC2CC2)C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-3-4-11(2)14(9-10)19-8-7-13(15(17)18)16-12-5-6-12/h3-4,9,12-13,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyNBOCXDZGOIOMRV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid

2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid (PubChem CID 55143193) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
PubChem CID55143193
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
SMILESCc1ccc(C)c(OCCC(NC2CC2)C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-3-4-11(2)14(9-10)19-8-7-13(15(17)18)16-12-5-6-12/h3-4,9,12-13,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyNBOCXDZGOIOMRV-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
(2S)-5-(2,5-dimethylphenoxy)-2-methylpentanoic acid
CID 92849810
ethyl 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678903
cis-(1S,3R)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676845
methyl 2-amino-4-(2,5-dimethylphenoxy)butanoate
CID 63040839
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 63039991
3-(2,5-dimethylphenoxy)-2-methylpropanoic acid
CID 43537634
2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid
CID 122083076

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid (CID 55143193) is 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid is Cc1ccc(C)c(OCCC(NC2CC2)C(=O)O)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid?
The InChIKey is NBOCXDZGOIOMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-3-4-11(2)14(9-10)19-8-7-13(15(17)18)16-12-5-6-12/h3-4,9,12-13,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid?
2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid is sourced from PubChem (CID 55143193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).