2-aminopropanoic acid;toluene

C10H15NO2 — CID 18362169

IUPAC2-aminopropanoic acid;toluene
SMILESCC(N)C(=O)O.Cc1ccccc1
InChIInChI=1S/C7H8.C3H7NO2/c1-7-5-3-2-4-6-7;1-2(4)3(5)6/h2-6H,1H3;2H,4H2,1H3,(H,5,6)
InChIKeyKOJXITYPQVUNGL-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.41
Rot. Bonds1

About 2-aminopropanoic acid;toluene

2-aminopropanoic acid;toluene (PubChem CID 18362169) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-aminopropanoic acid;toluene.

Molecular Properties

Compound Name2-aminopropanoic acid;toluene
PubChem CID18362169
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-aminopropanoic acid;toluene
SMILESCC(N)C(=O)O.Cc1ccccc1
InChIInChI=1S/C7H8.C3H7NO2/c1-7-5-3-2-4-6-7;1-2(4)3(5)6/h2-6H,1H3;2H,4H2,1H3,(H,5,6)
InChIKeyKOJXITYPQVUNGL-UHFFFAOYSA-N
XLogP1.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;toluene?
The IUPAC name of 2-aminopropanoic acid;toluene (CID 18362169) is 2-aminopropanoic acid;toluene.
What is the SMILES notation for 2-aminopropanoic acid;toluene?
The canonical SMILES for 2-aminopropanoic acid;toluene is CC(N)C(=O)O.Cc1ccccc1.
What is the InChIKey of 2-aminopropanoic acid;toluene?
The InChIKey is KOJXITYPQVUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H7NO2/c1-7-5-3-2-4-6-7;1-2(4)3(5)6/h2-6H,1H3;2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;toluene?
2-aminopropanoic acid;toluene has a molecular weight of 181.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;toluene is sourced from PubChem (CID 18362169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).