3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid

C15H23NO2 — CID 65057399

IUPAC3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
SMILESCCc1ccccc1CN(CCC(=O)O)C(C)C
InChIInChI=1S/C15H23NO2/c1-4-13-7-5-6-8-14(13)11-16(12(2)3)10-9-15(17)18/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyFUKWEVOPMQBXRN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds7

About 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid

3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid (PubChem CID 65057399) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
PubChem CID65057399
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
SMILESCCc1ccccc1CN(CCC(=O)O)C(C)C
InChIInChI=1S/C15H23NO2/c1-4-13-7-5-6-8-14(13)11-16(12(2)3)10-9-15(17)18/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyFUKWEVOPMQBXRN-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057352
3-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 114055340
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
3-[(2,4-difluorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 55045952
4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid
CID 60833320
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
3-[(2-chlorophenyl)methyl-(3-oxobutan-2-yl)amino]propanoic acid
CID 82329344
3-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60838993
3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 109021357
4-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]butanoic acid
CID 104792716
3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid (CID 65057399) is 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid is CCc1ccccc1CN(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid?
The InChIKey is FUKWEVOPMQBXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-13-7-5-6-8-14(13)11-16(12(2)3)10-9-15(17)18/h5-8,12H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid?
3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 65057399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).