4-amino-3-(2-cyclopropylphenyl)pentanoic acid

C14H19NO2 — CID 79983405

IUPAC4-amino-3-(2-cyclopropylphenyl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C14H19NO2/c1-9(15)13(8-14(16)17)12-5-3-2-4-11(12)10-6-7-10/h2-5,9-10,13H,6-8,15H2,1H3,(H,16,17)
InChIKeyRGWOYONPOVWGHO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds5

About 4-amino-3-(2-cyclopropylphenyl)pentanoic acid

4-amino-3-(2-cyclopropylphenyl)pentanoic acid (PubChem CID 79983405) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-3-(2-cyclopropylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-3-(2-cyclopropylphenyl)pentanoic acid
PubChem CID79983405
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-amino-3-(2-cyclopropylphenyl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C14H19NO2/c1-9(15)13(8-14(16)17)12-5-3-2-4-11(12)10-6-7-10/h2-5,9-10,13H,6-8,15H2,1H3,(H,16,17)
InChIKeyRGWOYONPOVWGHO-UHFFFAOYSA-N
XLogP2.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-cyclopropylphenyl)pentanoic acid?
The IUPAC name of 4-amino-3-(2-cyclopropylphenyl)pentanoic acid (CID 79983405) is 4-amino-3-(2-cyclopropylphenyl)pentanoic acid.
What is the SMILES notation for 4-amino-3-(2-cyclopropylphenyl)pentanoic acid?
The canonical SMILES for 4-amino-3-(2-cyclopropylphenyl)pentanoic acid is CC(N)C(CC(=O)O)c1ccccc1C1CC1.
What is the InChIKey of 4-amino-3-(2-cyclopropylphenyl)pentanoic acid?
The InChIKey is RGWOYONPOVWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(15)13(8-14(16)17)12-5-3-2-4-11(12)10-6-7-10/h2-5,9-10,13H,6-8,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3-(2-cyclopropylphenyl)pentanoic acid?
4-amino-3-(2-cyclopropylphenyl)pentanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-cyclopropylphenyl)pentanoic acid is sourced from PubChem (CID 79983405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).