2-methyl-3-(1-phenylethylamino)propanoic acid

C12H17NO2 — CID 2826778

IUPAC2-methyl-3-(1-phenylethylamino)propanoic acid
SMILESCC(CNC(C)c1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-9(12(14)15)8-13-10(2)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,14,15)
InChIKeyRLDYLNBTVOECPS-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.06
Rot. Bonds5

About 2-methyl-3-(1-phenylethylamino)propanoic acid

2-methyl-3-(1-phenylethylamino)propanoic acid (PubChem CID 2826778) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methyl-3-(1-phenylethylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-phenylethylamino)propanoic acid
PubChem CID2826778
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methyl-3-(1-phenylethylamino)propanoic acid
SMILESCC(CNC(C)c1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-9(12(14)15)8-13-10(2)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,14,15)
InChIKeyRLDYLNBTVOECPS-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-phenylethylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(1-phenylethylamino)propanoic acid (CID 2826778) is 2-methyl-3-(1-phenylethylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1-phenylethylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(1-phenylethylamino)propanoic acid is CC(CNC(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-3-(1-phenylethylamino)propanoic acid?
The InChIKey is RLDYLNBTVOECPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(12(14)15)8-13-10(2)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-(1-phenylethylamino)propanoic acid?
2-methyl-3-(1-phenylethylamino)propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-phenylethylamino)propanoic acid is sourced from PubChem (CID 2826778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).