2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid

C16H23NO3 — CID 122083076

IUPAC2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid
SMILESCc1ccc(C)c(OCCN(C2CC2)C(C)C(=O)O)c1
InChIInChI=1S/C16H23NO3/c1-11-4-5-12(2)15(10-11)20-9-8-17(14-6-7-14)13(3)16(18)19/h4-5,10,13-14H,6-9H2,1-3H3,(H,18,19)
InChIKeyLBHDTMUKNYSLLQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.62
Rot. Bonds7

About 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid

2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid (PubChem CID 122083076) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid
PubChem CID122083076
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid
SMILESCc1ccc(C)c(OCCN(C2CC2)C(C)C(=O)O)c1
InChIInChI=1S/C16H23NO3/c1-11-4-5-12(2)15(10-11)20-9-8-17(14-6-7-14)13(3)16(18)19/h4-5,10,13-14H,6-9H2,1-3H3,(H,18,19)
InChIKeyLBHDTMUKNYSLLQ-UHFFFAOYSA-N
XLogP2.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
CID 122083066
2-[cyclopropyl-[3-(3,5-dimethylphenoxy)propyl]amino]propanoic acid
CID 122083029
(2S)-5-(2,5-dimethylphenoxy)-2-methylpentanoic acid
CID 92849810
2-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 122083115
4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121578
2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
CID 55143193
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
3-(2,5-dimethylphenoxy)-2-methylpropanoic acid
CID 43537634
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
CID 54991126
2-[3-(2,5-dimethylphenoxy)propyl-(2-methylpropyl)amino]acetic acid
CID 63066276
6-(2,5-dimethylphenoxy)-2-oxohexanoic acid
CID 57182380
4-cyano-N-cyclopropyl-N-[3-(2,5-dimethylphenoxy)propyl]benzenesulfonamide
CID 60522568

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid (CID 122083076) is 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid is Cc1ccc(C)c(OCCN(C2CC2)C(C)C(=O)O)c1.
What is the InChIKey of 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid?
The InChIKey is LBHDTMUKNYSLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-4-5-12(2)15(10-11)20-9-8-17(14-6-7-14)13(3)16(18)19/h4-5,10,13-14H,6-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid?
2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid is sourced from PubChem (CID 122083076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).