3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid

C15H23NO2 — CID 82328958

IUPAC3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(2)11-16(10-9-15(17)18)13(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,18)
InChIKeyBVBAREFTLBUSAU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.18
Rot. Bonds7

About 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid

3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid (PubChem CID 82328958) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
PubChem CID82328958
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(2)11-16(10-9-15(17)18)13(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,18)
InChIKeyBVBAREFTLBUSAU-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82329010
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
2-[2-carboxyethyl(1-phenylethyl)amino]-3-methylbutanoic acid
CID 82328445
3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329289
3-[1-[3-(difluoromethoxy)phenyl]ethyl-ethylamino]propanoic acid
CID 65062861
3-oxo-3-[[(1S)-1-phenylethyl]-propan-2-ylamino]propanoic acid
CID 15546984
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
CID 60832767

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid (CID 82328958) is 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(C)c1ccccc1.
What is the InChIKey of 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid?
The InChIKey is BVBAREFTLBUSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)11-16(10-9-15(17)18)13(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid?
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 82328958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).