3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid

C15H23NO3 — CID 65057113

IUPAC3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
SMILESCOc1ccccc1C(C)N(CCC(=O)O)C(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)16(10-9-15(17)18)12(3)13-7-5-6-8-14(13)19-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyUJTLMDLKSDURPU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.94
Rot. Bonds7

About 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid

3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid (PubChem CID 65057113) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
PubChem CID65057113
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
SMILESCOc1ccccc1C(C)N(CCC(=O)O)C(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)16(10-9-15(17)18)12(3)13-7-5-6-8-14(13)19-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyUJTLMDLKSDURPU-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057116
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
3-[1-(4-fluoro-2-hydroxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65058577
2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
CID 107426423
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
4-fluoro-3-(2-methoxyphenyl)pentanoic acid
CID 115035494

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid (CID 65057113) is 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid is COc1ccccc1C(C)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid?
The InChIKey is UJTLMDLKSDURPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)16(10-9-15(17)18)12(3)13-7-5-6-8-14(13)19-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid?
3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 65057113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).